For research use only. Not for therapeutic Use.
Ethyl 4-(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate(CAT: I040348) is a synthetic heterocyclic compound featuring a benzothiophene core substituted with chlorine and fluorine, conjugated to a piperazine ring via a carbonyl linkage. The ethyl ester moiety enhances its lipophilicity and membrane permeability, making it suitable for medicinal chemistry and structure–activity relationship (SAR) studies. This molecule holds potential as a lead scaffold in the development of CNS-active agents, kinase inhibitors, or modulators of GPCRs and ion channels. Its multifunctional design offers opportunities for exploring drug–receptor interactions in oncology, neuropharmacology, and infectious disease research.
| CAS Number | 620570-09-4 |
| Synonyms | ethyl 4-(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate |
| Molecular Formula | C16H16ClFN2O3S |
| Purity | ≥95% |
| IUPAC Name | ethyl 4-(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C16H16ClFN2O3S/c1-2-23-16(22)20-7-5-19(6-8-20)15(21)14-13(17)11-4-3-10(18)9-12(11)24-14/h3-4,9H,2,5-8H2,1H3 |
| InChIKey | YAURUBLPBWWRPH-UHFFFAOYSA-N |
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
