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BML-277

CAT: 0607-B1236-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B1236-10Size:10 mg
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Description
Chk2 inhibitor,potent and highly selective
CAS Number
516480-79-8
Product Name Alternative
2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide
Field of Research
Cell Cycle Checkpoint Chk
Purity
0.9975
Form
A solid
Solubility
insoluble in H2O; ≥18.2 mg/mL in DMSO; ≥2.72 mg/mL in EtOH with ultrasonic
Smiles
C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)C(=O)N)OC4=CC=C(C=C4)Cl
Molecular Formula
C20H14ClN3O2
Molecular Weight
363.8
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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...
View on PubChemRaw 3D data
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

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