ML328 Analog
8-ethyl-2-[4-[(2-fluorophenyl)carbamothioyl]piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: ML328 Analog|A3634/0154197|SR-03000002329-1|SR-03000002329-2|8-ethyl-2-(4-((2-fluorophenyl)carbamothioyl)piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid|8-ethyl-2-{4-[(2-fluorophenyl)carbamothioyl]piperazin-1-yl}-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid|2-(4-{[(2-Fluorophenyl)amino]carbonothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic Acid|8-ethyl-2-[4-[(2-fluorophenyl)carbamothioyl]piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid|8-ETHYL-2-{4-[(2-FLUOROANILINO)CARBOTHIOYL]PIPERAZINO}-5-OXO-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID
| Molecular Formula | C21H21FN6O3S |
|---|---|
| Molecular Weight | 456.138 g/mol |
| LogP | 2.1677 |
| Topological Polar Surface Area | 103.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.138 |
| Monoisotopic Mass | 456.138 |
| Heavy Atoms | 32 |
| Complexity | 1256.0038 |
Chemical Identifiers
| CAS Number | 697239-67-1 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC=CC=C4F)C(=O)O |
Product Overview
ML328 Analog (CAS 697239-67-1), with molecular formula C21H21FN6O3S and molecular weight 456.138 g/mol. IUPAC: 8-ethyl-2-[4-[(2-fluorophenyl)carbamothioyl]piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid.