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303727-31-3 | Phenol, 2-chloro-5-[2-phenyl-4-(4-pyridinyl)-1H-imidazol-5-yl]-
CAS No: 303727-31-3 Catalog No: AG002ZWS MDL No:MFCD12828750
Product Description
Catalog Number:
AG002ZWS
Chemical Name:
Phenol, 2-chloro-5-[2-phenyl-4-(4-pyridinyl)-1H-imidazol-5-yl]-
CAS Number:
303727-31-3
Molecular Formula:
C20H14ClN3O
Molecular Weight:
347.7977
MDL Number:
MFCD12828750
IUPAC Name:
2-chloro-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol
InChI:
InChI=1S/C20H14ClN3O/c21-16-7-6-15(12-17(16)25)19-18(13-8-10-22-11-9-13)23-20(24-19)14-4-2-1-3-5-14/h1-12,25H,(H,23,24)
InChI Key:
WXJLXRNWMLWVFB-UHFFFAOYSA-N
SMILES:
Oc1cc(ccc1Cl)c1[nH]c(nc1c1ccncc1)c1ccccc1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.083g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
347.802g/mol
Monoisotopic Mass:
347.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| The discovery of furo[2,3-c]pyridine-based indanone oximes as potent and selective B-Raf inhibitors. | Bioorganic & medicinal chemistry letters 20110215 |
| The identification of potent, selective and CNS penetrant furan-based inhibitors of B-Raf kinase. | Bioorganic & medicinal chemistry letters 20080801 |
| Pharmacophore identification of Raf-1 kinase inhibitors. | Bioorganic & medicinal chemistry letters 20080401 |
| The identification of potent and selective imidazole-based inhibitors of B-Raf kinase. | Bioorganic & medicinal chemistry letters 20060115 |
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