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913822-46-5 | 4-ThiazolecarboxaMide, N-(6-benzoyl-1H-benziMidazol-2-yl)-2-(1-thieno[3,2-d]pyriMidin-4-yl-4-piperidinyl)-
CAS No: 913822-46-5 Catalog No: AG00H2XX MDL No:MFCD18206785
Product Description
Catalog Number:
AG00H2XX
Chemical Name:
4-ThiazolecarboxaMide, N-(6-benzoyl-1H-benziMidazol-2-yl)-2-(1-thieno[3,2-d]pyriMidin-4-yl-4-piperidinyl)-
CAS Number:
913822-46-5
Molecular Formula:
C29H23N7O2S2
Molecular Weight:
565.6686
MDL Number:
MFCD18206785
IUPAC Name:
N-(6-benzoyl-1H-benzimidazol-2-yl)-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
InChI:
InChI=1S/C29H23N7O2S2/c37-24(17-4-2-1-3-5-17)19-6-7-20-22(14-19)34-29(33-20)35-27(38)23-15-40-28(32-23)18-8-11-36(12-9-18)26-25-21(10-13-39-25)30-16-31-26/h1-7,10,13-16,18H,8-9,11-12H2,(H2,33,34,35,38)
InChI Key:
QNZVBFMXWNWVKG-UHFFFAOYSA-N
SMILES:
O=C(c1csc(n1)C1CCN(CC1)c1ncnc2c1scc2)Nc1nc2c([nH]1)cc(cc2)C(=O)c1ccccc1
Properties
Complexity:
915
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
565.135g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
565.67g/mol
Monoisotopic Mass:
565.135g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Literature
| Title | Journal |
|---|---|
| The novel, proteasome-independent NF-kappaB inhibitor V1810 induces apoptosis and cell cycle arrest in multiple myeloma and overcomes NF-kappaB-mediated drug resistance. | Molecular cancer therapeutics 20100201 |
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