| CAS Number | 217094-32-1 |
| Catalog Number | AG01EOHE(AGN-PC-0QY8J1) |
| Chemical Name | K-604 dihydrochloride |
| IUPAC Name | 2-[4-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]acetamide;dihydrochloride |
| InChI | InChI=1S/C23H30N6OS3.2ClH/c1-16-14-19(31-2)21(22(24-16)32-3)27-20(30)15-29-10-8-28(9-11-29)12-13-33-23-25-17-6-4-5-7-18(17)26-23;;/h4-7,14H,8-13,15H2,1-3H3,(H,25,26)(H,27,30);2*1H |
| InChI Key | DEKWEGUBUYKTAV-UHFFFAOYSA-N |
| MDL Number | MFCD30738203 |
| Molecular Formula | C23H32Cl2N6OS3 |
| Molecular Weight | 575.6408 |
| SMILES | Cl.Cl.N1C(=NC2=C1C=CC=C2)SCCN2CCN(CC2)CC(=O)NC=2C(=NC(=CC2SC)C)SC |
| Synonyms | K-604 dihydrochloride,
217094-32-1,
SCHEMBL6283825,
HY-100400A,
CS-0018788,
K-604, >=98% (HPLC),
|
| Complexity | 623 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 574.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 575.63g/mol |
| Monoisotopic Mass | 574.118g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 153A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number