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862812-98-4,MFCD10567700
Catalog No.:AA004JE6

862812-98-4 | CAY10576

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥95%
in stock  
$65.00   $45.00
- +
5mg
≥95%
in stock  
$283.00   $198.00
- +
10mg
≥95%
in stock  
$502.00   $351.00
- +
50mg
≥95%
in stock  
$2,183.00   $1,528.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA004JE6
Chemical Name:
CAY10576
CAS Number:
862812-98-4
Molecular Formula:
C22H19N3O5S2
Molecular Weight:
469.5334
MDL Number:
MFCD10567700
SMILES:
N#Cc1sc(cc1OCc1ccccc1S(=O)(=O)C)n1cnc2c1cc(OC)c(c2)OC
Properties
Computed Properties
 
Complexity:
797  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
8  
Rotatable Bond Count:
7  
XLogP3:
3.8  

Literature

Title: Identification of potent Yes1 kinase inhibitors using a library screening approach.

Journal: Bioorganic & medicinal chemistry letters 20130801

Title: The discovery of 2-amino-3,5-diarylbenzamide inhibitors of IKK-alpha and IKK-beta kinases.

Journal: Bioorganic & medicinal chemistry letters 20070715

Title: 5-(1H-Benzimidazol-1-yl)-3-alkoxy-2-thiophenecarbonitriles as potent, selective, inhibitors of IKK-epsilon kinase.

Journal: Bioorganic & medicinal chemistry letters 20061215

Title: Johannes JW, et al. Discovery of 6-aryl-azabenzimidazoles that inhibit the TBK1/IKK-ε kinases. Bioorg Med Chem Lett. 2014 Feb 15;24(4):1138-43.

Title: Xie HZ, et al. Pharmacophore modeling and hybrid virtual screening for the discovery of novel IκB kinase 2 (IKK2) inhibitors. J Biomol Struct Dyn. 2011 Aug;29(1):165-79.

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