| CAS Number | 1314118-94-9 |
| Catalog Number | AG009CJ5 |
| Chemical Name | Mk2-in-1 (hydrochloride) |
| IUPAC Name | 5-(4-chlorophenyl)-N-(4-piperazin-1-ylphenyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide;hydrochloride |
| InChI | InChI=1S/C27H25ClN4O2.ClH/c28-21-6-4-20(5-7-21)25-12-13-26(34-25)27(33)32(19-22-3-1-2-14-30-22)24-10-8-23(9-11-24)31-17-15-29-16-18-31;/h1-14,29H,15-19H2;1H |
| InChI Key | AZDOSXSDARWKGX-UHFFFAOYSA-N |
| MDL Number | MFCD29472226 |
| Molecular Formula | C27H26Cl2N4O2 |
| Molecular Weight | 509.4269 |
| SMILES | O=C(C1=CC=C(C2=CC=C(Cl)C=C2)O1)N(C3=CC=C(N4CCNCC4)C=C3)CC5=NC=CC=C5.[H]Cl |
| Synonyms | MK2-IN-1 hydrochloride,
MK2-IN-1 (hydrochloride),
1314118-94-9,
mk2 Inhibitor,
CHEMBL2017620,
MK 25,
HY-12834A,
AKOS030526405,
CS-4584,
AK547217,
5-(4-chlorophenyl)-N-[4-(1-piperazinyl)-phenyl]-N-(2-pyridinylmethyl)-2-furancarboxamide monohydrochloride,
|
| Complexity | 645 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 508.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 509.431g/mol |
| Monoisotopic Mass | 508.143g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number