For research use only. Not for therapeutic Use.
1-(4-Chlorophenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone(CAT: I040462) is a sulfur-linked heterocyclic compound integrating a 1,2,4-triazole ring with a chlorinated aromatic ketone and a pyridine substituent. This structural combination offers strong potential in medicinal chemistry for designing enzyme inhibitors, antimicrobial agents, or modulators of inflammatory pathways. The electron-withdrawing chlorine enhances lipophilicity and receptor binding, while the triazole-pyridine moiety supports metal coordination or hydrogen bonding interactions. Its versatile scaffold makes it valuable in structure-activity relationship (SAR) studies and fragment-based drug design. Suitable for researchers exploring novel bioactive chemotypes, particularly within anti-infective, anticancer, or CNS-targeted therapeutic areas.
| CAS Number | 501113-03-7 |
| Synonyms | 1-(4-chlorophenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone |
| Molecular Formula | C16H13ClN4OS |
| Purity | ≥95% |
| IUPAC Name | 1-(4-chlorophenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone |
| InChI | InChI=1S/C16H13ClN4OS/c1-21-15(12-6-8-18-9-7-12)19-20-16(21)23-10-14(22)11-2-4-13(17)5-3-11/h2-9H,10H2,1H3 |
| InChIKey | LDWGYAHJXWYJSA-UHFFFAOYSA-N |
| SMILES | CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Cl)C3=CC=NC=C3 |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
