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Chemical structure of PNU-120596

GC11643

PNU-120596

Also known as 1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea

PNU-120596 is a positive allosteric modulator of α7 neuronal nicotinic acetylcholine receptor (α7nAChR) with an EC50 value of 216nM

ChemicalCAS501925-31-1MW311.73FormulaC13H14ClN3O4
CAS number
501925-31-1
Molecular weight
311.73
Formula
C13H14ClN3O4
Solubility
≥ 31·2mg/mL in DMSO
InChIKey
CEIIEALEIHQDBX-UHFFFAOYSA-N
Catalogue number
GC11643
Brand
GLPBIO
Computed properties PubChem CID 311434 · XLogP 2.2 · TPSA 85.6 Ų · H-bond donors 2
XLogP
2.2
TPSA
85.6 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
21

SMILES CC1=CC(=NO1)NC(=O)NC2=CC(=C(C=C2OC)OC)Cl

Computed descriptors from PubChem (CID 311434), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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