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1360705-96-9,MFCD22666407
Catalog No.:AA00A1DF

1360705-96-9 | [4-[Bis(4-chlorophenyl)methyl]piperazin-1-yl]-(5-methyl-4-nitro-1,2-oxazol-3-yl)methanone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$46.00   $32.00
- +
5mg
≥98%
in stock  
$166.00   $116.00
- +
10mg
100%
in stock  
$284.00   $199.00
- +
25mg
≥98%
in stock  
$642.00   $449.00
- +
50mg
100%
in stock  
$873.00   $611.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00A1DF
Chemical Name:
[4-[Bis(4-chlorophenyl)methyl]piperazin-1-yl]-(5-methyl-4-nitro-1,2-oxazol-3-yl)methanone
CAS Number:
1360705-96-9
Molecular Formula:
C22H20Cl2N4O4
Molecular Weight:
475.3246
MDL Number:
MFCD22666407
SMILES:
Clc1ccc(cc1)C(c1ccc(cc1)Cl)N1CCN(CC1)C(=O)c1noc(c1[N+](=O)[O-])C
Properties
Computed Properties
 
Complexity:
635  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.6  

Downstream Synthesis Route

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,p.1822-1826

5-methyl-4-nitroisoxazole-3-carbonylchloride 
  27469-61-0    1360705-96-9 

[1]Weïwer,Michel;Bittker,JoshuaA.;Lewis,TimothyA.;Shimada,Kenichi;Yang,WanSeok;MacPherson,Lawrence;Dandapani,Sivaraman;Palmer,Michelle;Stockwell,BrentR.;Schreiber,StuartL.;Munoz,Benito[BioorganicandMedicinalChemistryLetters,2012,vol.22,#4,p.1822-1826]

[1]Weïwer,Michel;Bittker,JoshuaA.;Lewis,TimothyA.;Shimada,Kenichi;Yang,WanSeok;MacPherson,Lawrence;Dandapani,Sivaraman;Palmer,Michelle;Stockwell,BrentR.;Schreiber,StuartL.;Munoz,Benito[BioorganicandMedicinalChemistryLetters,2012,vol.22,#4,p.1822-1826]

[1]Weïwer,Michel;Bittker,JoshuaA.;Lewis,TimothyA.;Shimada,Kenichi;Yang,WanSeok;MacPherson,Lawrence;Dandapani,Sivaraman;Palmer,Michelle;Stockwell,BrentR.;Schreiber,StuartL.;Munoz,Benito[BioorganicandMedicinalChemistryLetters,2012,vol.22,#4,p.1822-1826]

[1]Weïwer,Michel;Bittker,JoshuaA.;Lewis,TimothyA.;Shimada,Kenichi;Yang,WanSeok;MacPherson,Lawrence;Dandapani,Sivaraman;Palmer,Michelle;Stockwell,BrentR.;Schreiber,StuartL.;Munoz,Benito[BioorganicandMedicinalChemistryLetters,2012,vol.22,#4,p.1822-1826]

Literature

Title: John K. Eaton, et al. Targeting a Therapy-Resistant Cancer Cell State Using Masked Electrophiles as GPX4 Inhibitors. Biorxiv. 2018.

Title: Weïwer M, et al. Development of small-molecule probes that selectively kill cells induced to express mutant RAS. Bioorg Med Chem Lett. 2012 Feb 15;22(4):1822-6.

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SDS
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Tags:1360705-96-9 Molecular Formula|1360705-96-9 MDL|1360705-96-9 SMILES|1360705-96-9 [4-[Bis(4-chlorophenyl)methyl]piperazin-1-yl]-(5-methyl-4-nitro-1,2-oxazol-3-yl)methanone
Catalog No.: AA00A1DF
1360705-96-9,MFCD22666407
1360705-96-9 | [4-[Bis(4-chlorophenyl)methyl]piperazin-1-yl]-(5-methyl-4-nitro-1,2-oxazol-3-yl)methanone
Pack Size： 1mg
Purity： ≥98%
in stock
$46.00 $32.00
Pack Size： 5mg
Purity： ≥98%
in stock
$166.00 $116.00
Pack Size： 10mg
Purity： 100%
in stock
$284.00 $199.00
Pack Size： 25mg
Purity： ≥98%
in stock
$642.00 $449.00
Pack Size： 50mg
Purity： 100%
in stock
$873.00 $611.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00A1DF
Chemical Name: [4-[Bis(4-chlorophenyl)methyl]piperazin-1-yl]-(5-methyl-4-nitro-1,2-oxazol-3-yl)methanone
CAS Number: 1360705-96-9
Molecular Formula: C22H20Cl2N4O4
Molecular Weight: 475.3246
MDL Number: MFCD22666407
SMILES: Clc1ccc(cc1)C(c1ccc(cc1)Cl)N1CCN(CC1)C(=O)c1noc(c1[N+](=O)[O-])C
Properties
Complexity: 635  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 32  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.6  
Downstream Synthesis Route
960225-75-6    1360705-96-9 

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,p.1822-1826

5-methyl-4-nitroisoxazole-3-carbonylchloride 
  27469-61-0    1360705-96-9 

[1]Weïwer,Michel;Bittker,JoshuaA.;Lewis,TimothyA.;Shimada,Kenichi;Yang,WanSeok;MacPherson,Lawrence;Dandapani,Sivaraman;Palmer,Michelle;Stockwell,BrentR.;Schreiber,StuartL.;Munoz,Benito[BioorganicandMedicinalChemistryLetters,2012,vol.22,#4,p.1822-1826]

3405-77-4    1360705-96-9 

[1]Weïwer,Michel;Bittker,JoshuaA.;Lewis,TimothyA.;Shimada,Kenichi;Yang,WanSeok;MacPherson,Lawrence;Dandapani,Sivaraman;Palmer,Michelle;Stockwell,BrentR.;Schreiber,StuartL.;Munoz,Benito[BioorganicandMedicinalChemistryLetters,2012,vol.22,#4,p.1822-1826]

90-97-1    1360705-96-9 

[1]Weïwer,Michel;Bittker,JoshuaA.;Lewis,TimothyA.;Shimada,Kenichi;Yang,WanSeok;MacPherson,Lawrence;Dandapani,Sivaraman;Palmer,Michelle;Stockwell,BrentR.;Schreiber,StuartL.;Munoz,Benito[BioorganicandMedicinalChemistryLetters,2012,vol.22,#4,p.1822-1826]

782-08-1    1360705-96-9 

[1]Weïwer,Michel;Bittker,JoshuaA.;Lewis,TimothyA.;Shimada,Kenichi;Yang,WanSeok;MacPherson,Lawrence;Dandapani,Sivaraman;Palmer,Michelle;Stockwell,BrentR.;Schreiber,StuartL.;Munoz,Benito[BioorganicandMedicinalChemistryLetters,2012,vol.22,#4,p.1822-1826]

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