| CAS Number | 1609389-52-7 |
| Catalog Number | AG001VI7(AGN-PC-0WGG3K) |
| Chemical Name | 6-Quinolinecarboxamide, N-[2-amino-5-(2-thienyl)phenyl]-2-(1-piperazinyl)- |
| IUPAC Name | N-(2-amino-5-thiophen-2-ylphenyl)-2-piperazin-1-ylquinoline-6-carboxamide |
| InChI | InChI=1S/C24H23N5OS/c25-19-6-3-17(22-2-1-13-31-22)15-21(19)28-24(30)18-4-7-20-16(14-18)5-8-23(27-20)29-11-9-26-10-12-29/h1-8,13-15,26H,9-12,25H2,(H,28,30) |
| InChI Key | VURDNNVAYZDGDK-UHFFFAOYSA-N |
| MDL Number | MFCD30342405 |
| Molecular Formula | C24H23N5OS |
| Molecular Weight | 429.5373 |
| SMILES | NC1=C(C=C(C=C1)C=1SC=CC1)NC(=O)C=1C=C2C=CC(=NC2=CC1)N1CCNCC1 |
| Synonyms | ACY-957,
ACY-957,
HDAC Inhibitor C001,
1609389-52-7,
CHEMBL3927842,
SCHEMBL15666003,
BDBM182757,
BCP25969,
AKOS027460739,
N-[2-Amino-5-(2-thienyl)phenyl]-2-(1-piperazinyl)-6-quinolinecarboxamide,
US9145412, Table 1, Compound 23,
HY-104008,
CS-0023625,
|
| Complexity | 615 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 429.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 429.542g/mol |
| Monoisotopic Mass | 429.162g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number