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Chemical structure of Calcium Channel antagonist 2

GC75617

Calcium Channel antagonist 2

Also known as N-[(4-fluorophenyl)methyl]-3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxamide

Calcium Channel antagonist 2 (Compound 154) is a calcium channel antagonist (IC50=5-20 μM)

ChemicalCAS874370-15-7MW444.52FormulaC23H25FN2O4S
CAS number
874370-15-7
Molecular weight
444.52
Formula
C23H25FN2O4S
Solubility
DMSO: ≥ 100 mg/mL (224·96 mM)
InChIKey
JMKMEDRXKRPMHV-UHFFFAOYSA-N
Catalogue number
GC75617
Brand
GLPBIO
Computed properties PubChem CID 22422457 · XLogP 4.3 · TPSA 88 Ų · H-bond donors 1
XLogP
4.3
TPSA
88 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31

SMILES CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C(=O)NCC4=CC=C(C=C4)F

Computed descriptors from PubChem (CID 22422457), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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