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Chemical structure of Calcium Channel antagonist 3

GC75618

Calcium Channel antagonist 3

Also known as N-benzyl-3-methyl-5-(3-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxamide

Calcium Channel antagonist 3 (compound 397) is an inhibitor of voltage-gated calcium channels with an IC50 value of 5-20μM

ChemicalCAS687573-14-4MW426.53FormulaC23H26N2O4S
CAS number
687573-14-4
Molecular weight
426.53
Formula
C23H26N2O4S
Solubility
DMSO: 50 mg/mL (117·23 mM; Need ultrasonic)
InChIKey
JPAQHVPMJBXAMI-UHFFFAOYSA-N
Catalogue number
GC75618
Brand
GLPBIO
Computed properties PubChem CID 16000705 · XLogP 4.2 · TPSA 88 Ų · H-bond donors 1
XLogP
4.2
TPSA
88 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30

SMILES CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C(=O)NCC4=CC=CC=C4

Computed descriptors from PubChem (CID 16000705), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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