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BML-277

CAT: 1410-M14798-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M14798-04Size:10 mg
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Description
BML-277 (C 3742) is a selective Chk2 (checkpoint kinase 2) inhibitor with an IC50 of 15 nM.
CAS Number
516480-79-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
363.8
Molecular Formula
C20H14ClN3O2
Notes
Research use only, not for human use.
Receptor
Chk2

Chemical Information

2-(4-(4-chlorophenoxy)phenyl)-1H-benzimidazole-5-carboxamide

a CHK2 inhibitor

CAS Number516480-79-8
PubChem CID9969021
IUPAC Name2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide
Molecular FormulaC20H14ClN3O2
Molecular Weight363.8
XLogP4.3
Topological Polar Surface Area81
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity489
SMILES
C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)C(=O)N)OC4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H14ClN3O2/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)
InChIKey
UXGJAOIJSROTTN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-(4-chlorophenoxy)phenyl)-1H-benzimidazole-5-carboxamide
CAS: 516480-79-8
CID: 9969021
Formula: C20H14ClN3O2
MW: 363.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight363.8
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass363.0774544
Monoisotopic Mass363.0774544
Topological Polar Surface Area81 Ų
Heavy Atom Count26
Formal Charge0
Complexity489
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes