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Chemical structure of 5-HT1A modulator 1

GC31234

5-HT1A modulator 1

Also known as 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-1,3-benzothiazol-2-one

5-HT1A modulator 1 displays very high affinities for the 5HT1A, adrenergic α1 and dopamine D2 receptor with IC50s of 2 ±0·3 nM, 10 ± 3 nM and 40 ±9 nM, respectively

ChemicalCAS142477-34-7MW383.51FormulaC21H25N3O2S
CAS number
142477-34-7
Molecular weight
383.51
Formula
C21H25N3O2S
Solubility
Soluble in DMSO
InChIKey
RTHIBOYVHBRSHH-UHFFFAOYSA-N
Catalogue number
GC31234
Brand
GLPBIO
Computed properties PubChem CID 9821397 · XLogP 3.7 · TPSA 61.3 Ų · H-bond donors 0
XLogP
3.7
TPSA
61.3 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
27

SMILES CN1C2=C(C=C(C=C2)CCN3CCN(CC3)C4=CC=CC=C4OC)SC1=O

Computed descriptors from PubChem (CID 9821397), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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