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Chemical structure of NR2E3 agonist 1

GC71479

NR2E3 agonist 1

Also known as 2-chloro-N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide

NR2E3 agonist 1 (Compound 11a) is a small molecule agonist of the photoreceptor-specific nuclear receptor (NR2E3) with an EC50 value of less than 200 nM

ChemicalCAS911211-69-3MW430.89FormulaC24H19ClN4O2
CAS number
911211-69-3
Molecular weight
430.89
Formula
C24H19ClN4O2
Solubility
DMSO : 100 mg/mL (232·08 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
URTBMZWXWYUQAM-UHFFFAOYSA-N
Catalogue number
GC71479
Brand
GLPBIO
Computed properties PubChem CID 16046196 · XLogP 4.2 · TPSA 86.9 Ų · H-bond donors 3
XLogP
4.2
TPSA
86.9 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
31

SMILES C1CC1C(=O)NC2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5Cl

Computed descriptors from PubChem (CID 16046196), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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