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Chemical structure of S 38093

GC31105

S 38093

Also known as 4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]benzamide

S 38093 is a brain-penetrant, orally active antagonist of H3 receptor, with Kis of 8·8, 1·44 and 1·2 ?M for rat, mouse and human H3 receptors, respectively

ChemicalCAS862896-30-8MW288.38FormulaC17H24N2O2
CAS number
862896-30-8
Molecular weight
288.38
Formula
C17H24N2O2
Solubility
DMSO ： 15 mg/mL (52·01 mM)
InChIKey
MRNMYWNBLVJWKG-UHFFFAOYSA-N
Catalogue number
GC31105
Brand
GLPBIO
Computed properties PubChem CID 11380684 · XLogP 2.5 · TPSA 55.6 Ų · H-bond donors 1
XLogP
2.5
TPSA
55.6 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
21

SMILES C1CC2CN(CC2C1)CCCOC3=CC=C(C=C3)C(=O)N

Computed descriptors from PubChem (CID 11380684), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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