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CAY10576

CAS No.:
862812-98-4
Catalog Number:
AG004JGY
Molecular Formula:
C22H19N3O5S2
Molecular Weight:
469.5334
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
98%
1 week
United States
$321
- +
5mg
98%
1 week
United States
$862
- +
Product Description
Catalog Number:
AG004JGY
Chemical Name:
CAY10576
CAS Number:
862812-98-4
Molecular Formula:
C22H19N3O5S2
Molecular Weight:
469.5334
MDL Number:
MFCD10567700
IUPAC Name:
5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(2-methylsulfonylphenyl)methoxy]thiophene-2-carbonitrile
InChI:
InChI=1S/C22H19N3O5S2/c1-28-17-8-15-16(9-18(17)29-2)25(13-24-15)22-10-19(20(11-23)31-22)30-12-14-6-4-5-7-21(14)32(3,26)27/h4-10,13H,12H2,1-3H3
InChI Key:
LDTAHRLHGHFHKP-UHFFFAOYSA-N
SMILES:
N#Cc1sc(cc1OCc1ccccc1S(=O)(=O)C)n1cnc2c1cc(OC)c(c2)OC
Properties
Complexity:
797  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
469.077g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
469.53g/mol
Monoisotopic Mass:
469.077g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
Identification of potent Yes1 kinase inhibitors using a library screening approach. Bioorganic & medicinal chemistry letters 20130801
The discovery of 2-amino-3,5-diarylbenzamide inhibitors of IKK-alpha and IKK-beta kinases. Bioorganic & medicinal chemistry letters 20070715
5-(1H-Benzimidazol-1-yl)-3-alkoxy-2-thiophenecarbonitriles as potent, selective, inhibitors of IKK-epsilon kinase. Bioorganic & medicinal chemistry letters 20061215
Properties