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Chemical structure of 5-HT4 antagonist 1

GC30314

5-HT4 antagonist 1

Also known as N-[[1-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

5-HT4 antagonist 1 is a 5-HT4 receptor antagonist with a pKi of 9·6

ChemicalCAS261766-73-8MW480.62FormulaC23H36N4O5S
CAS number
261766-73-8
Molecular weight
480.62
Formula
C23H36N4O5S
Solubility
DMSO ： 20 mg/mL (41·61 mM; ultrasonic and warming and adjust pH to 3 with HCl and heat to 60°C)
InChIKey
AUXZCLHKLUWDDZ-UHFFFAOYSA-N
Catalogue number
GC30314
Brand
GLPBIO
Computed properties PubChem CID 9869791 · XLogP 1.2 · TPSA 99.8 Ų · H-bond donors 1
XLogP
1.2
TPSA
99.8 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
33

SMILES CN1CCN(CC1)S(=O)(=O)CCCN2CCC(CC2)CNC(=O)C3=C4C(=CC=C3)OCCO4

Computed descriptors from PubChem (CID 9869791), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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