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2061344-88-3
Catalog No.:AA01EOIP

2061344-88-3 | 6H05 trifluoroacetate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$70.00   $49.00
- +
5mg
≥98%
in stock  
$309.00   $216.00
- +
10mg
≥98%
in stock  
$476.00   $333.00
- +
25mg
≥98%
in stock  
$848.00   $593.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA01EOIP
Chemical Name:
6H05 trifluoroacetate
CAS Number:
2061344-88-3
Molecular Formula:
C22H31ClF3N3O4S3
Molecular Weight:
590.1424
SMILES:
OC(=O)C(F)(F)F.CN(CCSSCCNC(=O)C1CCN(CC1)C(=O)CSc1ccc(cc1)Cl)C
Properties
Computed Properties
 
Complexity:
581  
Covalently-Bonded Unit Count:
2  
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
11  

Literature

Title: Ostrem JM, et al. K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature. 2013 Nov 28;503(7477):548-51.

Title: Lu S, et al. Harnessing allostery: a novel approach to drug discovery. Med Res Rev. 2014 Nov;34(6):1242-85.

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SDS
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Tags:2061344-88-3 Molecular Formula|2061344-88-3 MDL|2061344-88-3 SMILES|2061344-88-3 6H05 trifluoroacetate