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CHIR-124

CAS No.:
405168-58-3
Catalog Number:
AG00C6F5
Molecular Formula:
C23H22ClN5O
Molecular Weight:
419.9067
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$96
- +
5mg
98%
1 week
United States
$190
- +
10mg
98%
1 week
United States
$290
- +
25mg
≥95%
1 week
United States
$446
- +
50mg
98%
1 week
United States
$807
- +
100mg
98%
1 week
United States
$1473
- +
Product Description
Catalog Number:
AG00C6F5
Chemical Name:
CHIR-124
CAS Number:
405168-58-3
Molecular Formula:
C23H22ClN5O
Molecular Weight:
419.9067
MDL Number:
MFCD31656992
IUPAC Name:
4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-3-(1H-benzimidazol-2-yl)-6-chloro-1H-quinolin-2-one
InChI:
InChI=1S/C23H22ClN5O/c24-14-5-6-16-15(11-14)21(25-19-12-29-9-7-13(19)8-10-29)20(23(30)28-16)22-26-17-3-1-2-4-18(17)27-22/h1-6,11,13,19H,7-10,12H2,(H,26,27)(H2,25,28,30)/t19-/m1/s1
InChI Key:
MOVBBVMDHIRCTG-LJQANCHMSA-N
SMILES:
Clc1ccc2c(c1)c(N[C@@H]1CN3CCC1CC3)c(c(=O)[nH]2)c1nc2c([nH]1)cccc2
UNII:
5K64W8EU3E
Properties
Complexity:
720  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
419.151g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
419.913g/mol
Monoisotopic Mass:
419.151g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Cellular impedance assays for predictive preclinical drug screening of kinase inhibitor cardiovascular toxicity. Toxicological sciences : an official journal of the Society of Toxicology 20131001
4-(Aminoalkylamino)-3-benzimidazole-quinolinones as potent CHK-1 inhibitors. Bioorganic & medicinal chemistry letters 20060615
Properties