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436133-68-5,MFCD04109603
Catalog No.:AA00DB3O

436133-68-5 | Kobe-0065

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$53.00   $37.00
- +
5mg
≥98%
in stock  
$129.00   $90.00
- +
10mg
in stock  
$181.00   $127.00
- +
50mg
in stock  
$415.00   $290.00
- +
100mg
in stock  
$567.00   $397.00
- +
200mg
in stock  
$872.00   $610.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DB3O
Chemical Name:
Kobe-0065
CAS Number:
436133-68-5
Molecular Formula:
C15H11ClF3N5O4S
Molecular Weight:
449.7921
MDL Number:
MFCD04109603
SMILES:
S=C(Nc1ccc(c(c1)Cl)C)NNc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
609  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
5.5  

Literature

Title: Shima, Fumi, et al. In silico discovery of small-molecule Ras inhibitors that display antitumor activity by blocking the Ras-effector interaction. Proceedings of the National Academy of Sciences of the United States of America (2013), 110(20), 8182-8187,

Title: Shima F, et al. Discovery of small-molecule Ras inhibitors that display antitumor activity by interfering with Ras·GTP-effector interaction. Enzymes. 2013;34 Pt. B:1-23

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Tags:436133-68-5 Molecular Formula|436133-68-5 MDL|436133-68-5 SMILES|436133-68-5 Kobe-0065
Catalog No.: AA00DB3O
436133-68-5,MFCD04109603
436133-68-5 | Kobe-0065
Pack Size： 1mg
Purity： ≥98%
in stock
$53.00 $37.00
Pack Size： 5mg
Purity： ≥98%
in stock
$129.00 $90.00
Pack Size： 10mg
Purity：
in stock
$181.00 $127.00
Pack Size： 50mg
Purity：
in stock
$415.00 $290.00
Pack Size： 100mg
Purity：
in stock
$567.00 $397.00
Pack Size： 200mg
Purity：
in stock
$872.00 $610.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DB3O
Chemical Name: Kobe-0065
CAS Number: 436133-68-5
Molecular Formula: C15H11ClF3N5O4S
Molecular Weight: 449.7921
MDL Number: MFCD04109603
SMILES: S=C(Nc1ccc(c(c1)Cl)C)NNc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
Properties
Complexity: 609  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 29  
Hydrogen Bond Acceptor Count: 9  
Hydrogen Bond Donor Count: 3  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 5.5  
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