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1237744-13-6,MFCD22666391
Catalog No.:AA000KZE

1237744-13-6 | Benzoic acid, 4-[6-methoxy-2-[(1E)-2-(3-nitrophenyl)ethenyl]-4-oxo-3(4H)-quinazolinyl]-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$52.00   $36.00
- +
5mg
≥98%
in stock  
$160.00   $112.00
- +
10mg
≥98%
in stock  
$269.00   $188.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000KZE
Chemical Name:
Benzoic acid, 4-[6-methoxy-2-[(1E)-2-(3-nitrophenyl)ethenyl]-4-oxo-3(4H)-quinazolinyl]-
CAS Number:
1237744-13-6
Molecular Formula:
C24H17N3O6
Molecular Weight:
443.4083
MDL Number:
MFCD22666391
SMILES:
COc1ccc2c(c1)c(=O)n(c(n2)/C=C/c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)C(=O)O
Properties
Properties
 
Form:
Solid  
MP:
>260℃  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
814  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
1  
Formal Charge:
0  
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.8  

Downstream Synthesis Route

[1]Locationinpatent:experimentalpartMosley,CaraA.;Acker,TimothyM.;Hansen,KasperB.;Mullasseril,Praseeda;Andersen,KarenT.;Le,Phuong;Vellano,KimberlyM.;Bräuner-Osborne,Hans;Liotta,DennisC.;Traynelis,StephenF.[JournalofMedicinalChemistry,2010,vol.53,#15,p.5476-5490]

Literature

Title: Hansen KB, et al. Structural and mechanistic determinants of a novel site for noncompetitive inhibition of GluN2D-containing NMDA receptors. J Neurosci. 2011 Mar 9;31(10):3650-3661.

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SDS
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Historical Records
941965-02-2

941965-02-2

 1219976-44-9

1219976-44-9
Tags:1237744-13-6 Molecular Formula|1237744-13-6 MDL|1237744-13-6 SMILES|1237744-13-6 Benzoic acid, 4-[6-methoxy-2-[(1E)-2-(3-nitrophenyl)ethenyl]-4-oxo-3(4H)-quinazolinyl]-
Catalog No.: AA000KZE
1237744-13-6,MFCD22666391
1237744-13-6 | Benzoic acid, 4-[6-methoxy-2-[(1E)-2-(3-nitrophenyl)ethenyl]-4-oxo-3(4H)-quinazolinyl]-
Pack Size： 1mg
Purity： ≥98%
in stock
$52.00 $36.00
Pack Size： 5mg
Purity： ≥98%
in stock
$160.00 $112.00
Pack Size： 10mg
Purity： ≥98%
in stock
$269.00 $188.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA000KZE
Chemical Name: Benzoic acid, 4-[6-methoxy-2-[(1E)-2-(3-nitrophenyl)ethenyl]-4-oxo-3(4H)-quinazolinyl]-
CAS Number: 1237744-13-6
Molecular Formula: C24H17N3O6
Molecular Weight: 443.4083
MDL Number: MFCD22666391
SMILES: COc1ccc2c(c1)c(=O)n(c(n2)/C=C/c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)C(=O)O
Properties
Form: Solid  
MP: >260℃  
Storage: Keep in dry area;Room Temperature;  
Complexity: 814  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 1  
Formal Charge: 0  
Heavy Atom Count: 33  
Hydrogen Bond Acceptor Count: 7  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.8  
Downstream Synthesis Route
1237744-75-0    99-61-6    1237744-13-6 

[1]Locationinpatent:experimentalpartMosley,CaraA.;Acker,TimothyM.;Hansen,KasperB.;Mullasseril,Praseeda;Andersen,KarenT.;Le,Phuong;Vellano,KimberlyM.;Bräuner-Osborne,Hans;Liotta,DennisC.;Traynelis,StephenF.[JournalofMedicinalChemistry,2010,vol.53,#15,p.5476-5490]

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1219976-44-9
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