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Chemical structure of AF64394

GC19417

AF64394

Also known as N-[(4-chloro-2-propan-2-yloxyphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

AF64394 is a GPR3 inverse agonist, with a pIC50 of 7·3

ChemicalCAS1637300-25-4MW393.87FormulaC21H20ClN5O
CAS number
1637300-25-4
Molecular weight
393.87
Formula
C21H20ClN5O
Solubility
DMSO : ≥ 125 mg/mL (317·36 mM)
InChIKey
WBYNZQXAAWPAGR-UHFFFAOYSA-N
Catalogue number
GC19417
Brand
GLPBIO
Computed properties PubChem CID 125286314 · XLogP 5 · TPSA 64.3 Ų · H-bond donors 1
XLogP
5
TPSA
64.3 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
28

SMILES CC(C)OC1=C(C=CC(=C1)Cl)CNC2=CC(=NC3=NC=NN23)C4=CC=CC=C4

Computed descriptors from PubChem (CID 125286314), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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