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Chemical structure of A 841720

GC16068

A 841720

Also known as 5-(azepan-1-yl)-13-(dimethylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one

mGluR1 antagonist, non-competitive

ChemicalCAS869802-58-4MW343.45FormulaC17H21N5OS
CAS number
869802-58-4
Molecular weight
343.45
Formula
C17H21N5OS
Solubility
DMF： 16 mg/ml,DMSO： 25 mg/ml,DMSO：PBS(pH 7·2) (1：3)： 0·25 mg/ml,Ethanol： 3 mg/ml
InChIKey
GYWGXEGOXODOQU-UHFFFAOYSA-N
Catalogue number
GC16068
Brand
GLPBIO
Computed properties PubChem CID 11559235 · XLogP 3.1 · TPSA 80.3 Ų · H-bond donors 0
XLogP
3.1
TPSA
80.3 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
24

SMILES CN(C)C1=C2C3=C(C(=O)N(C=N3)N4CCCCCC4)SC2=NC=C1

Computed descriptors from PubChem (CID 11559235), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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