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Chemical structure of nAChR agonist 1

GC63094

nAChR agonist 1

Also known as 4-[5-(4-chlorophenyl)-4-methyl-2-propanoylthiophen-3-yl]benzenesulfonamide

nAChR agonist 1 is a potent,?brain-permeable, and?orally?efficacious positive?allosteric?modulator?of α7?nicotinic?acetylcholine?receptor (α7 nAChR)

ChemicalCAS1394371-75-5MW419.94FormulaC20H18ClNO3S2
CAS number
1394371-75-5
Molecular weight
419.94
Formula
C20H18ClNO3S2
Solubility
DMSO ： 125 mg/mL (297·66 mM; Need ultrasonic)
InChIKey
DYIIYIJHDMIABW-UHFFFAOYSA-N
Catalogue number
GC63094
Brand
GLPBIO
Computed properties PubChem CID 60167958 · XLogP 4.9 · TPSA 114 Ų · H-bond donors 1
XLogP
4.9
TPSA
114 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
27

SMILES CCC(=O)C1=C(C(=C(S1)C2=CC=C(C=C2)Cl)C)C3=CC=C(C=C3)S(=O)(=O)N

Computed descriptors from PubChem (CID 60167958), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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