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13616-29-0 | 4,4'-(carbonyldiimino)bis[N-(4-methyl-2-pyrimidinyl)-benzenesulfonamide
CAS No: 13616-29-0 Catalog No: AG01EPFY MDL No:
Product Description
Catalog Number:
AG01EPFY
Chemical Name:
4,4'-(carbonyldiimino)bis[N-(4-methyl-2-pyrimidinyl)-benzenesulfonamide
CAS Number:
13616-29-0
Molecular Formula:
C23H22N8O5S2
Molecular Weight:
554.6014
IUPAC Name:
1,3-bis[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]urea
InChI:
InChI=1S/C23H22N8O5S2/c1-15-11-13-24-21(26-15)30-37(33,34)19-7-3-17(4-8-19)28-23(32)29-18-5-9-20(10-6-18)38(35,36)31-22-25-14-12-16(2)27-22/h3-14H,1-2H3,(H,24,26,30)(H,25,27,31)(H2,28,29,32)
InChI Key:
RSINKZJTTORDAJ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccc(n1)C)Nc1ccc(cc1)S(=O)(=O)Nc1nccc(n1)C
Properties
Complexity:
908
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
554.115g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
554.6g/mol
Monoisotopic Mass:
554.115g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
202A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Identification of potent Yes1 kinase inhibitors using a library screening approach. | Bioorganic & medicinal chemistry letters 20130801 |
| The lipogenesis pathway as a cancer target. | Journal of medicinal chemistry 20110825 |
| Discovery of GSK837149A, an inhibitor of human fatty acid synthase targeting the beta-ketoacyl reductase reaction. | The FEBS journal 20080401 |
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