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Chemical structure of 6,6-Dimethyl-3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

GC91922

6,6-Dimethyl-3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

Also known as (2-amino-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-3-yl)-(4-methylphenyl)methanone

6,6-Dimethyl-3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is a glucagon-like peptide 1 receptor (GLP-1R) positive allosteric modulator (PAM)

ChemicalCAS1461715-47-8MW299.4FormulaC18H21NOS
CAS number
1461715-47-8
Molecular weight
299.4
Formula
C18H21NOS
Solubility
DMSO： Sparingly soluble： 1–10 mg/ml,Ethanol： Slightly soluble： 0·1–1 mg/ml
InChIKey
YLLLRGILMRXIMY-UHFFFAOYSA-N
Catalogue number
GC91922
Brand
GLPBIO
Computed properties PubChem CID 75454465 · XLogP 5.6 · TPSA 71.3 Ų · H-bond donors 1
XLogP
5.6
TPSA
71.3 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21

SMILES CC1=CC=C(C=C1)C(=O)C2=C(SC3=C2CCC(C3)(C)C)N

Computed descriptors from PubChem (CID 75454465), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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