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Chemical structure of NE 52-QQ57

GC31906

NE 52-QQ57

Also known as 2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole

NE 52-QQ57 is a selective, and orally available GPR4 antagonist with an IC50 of 70 nM

ChemicalCAS1401728-56-0MW416.52FormulaC24H28N6O
CAS number
1401728-56-0
Molecular weight
416.52
Formula
C24H28N6O
Solubility
DMSO ： 25 mg/mL (60·02 mM)
InChIKey
HXPQWNPLNIEJOW-UHFFFAOYSA-N
Catalogue number
GC31906
Brand
GLPBIO
Computed properties PubChem CID 68379135 · XLogP 3.5 · TPSA 81.1 Ų · H-bond donors 1
XLogP
3.5
TPSA
81.1 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31

SMILES CCC1=NN2C(=CC(=NC2=C1CC3=CC=C(C=C3)C4=NN=C(O4)C5CCNCC5)C)C

Computed descriptors from PubChem (CID 68379135), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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