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Chemical structure of CERC-501

GC19229

CERC-501

Also known as 4-[4-[[(2S)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenoxy]-3-fluorobenzamide

CERC-501 (CERC-501) is a potent and centrally-penetrant kappa opioid receptor antagonist with a Ki of 0·807 nM

ChemicalCAS1174130-61-0MW418.5FormulaC26H27FN2O2
CAS number
1174130-61-0
Molecular weight
418.5
Formula
C26H27FN2O2
Solubility
DMSO ： ≥ 100 mg/mL (238·95 mM)
InChIKey
ZHPMYDSXGRRERG-DEOSSOPVSA-N
Catalogue number
GC19229
Brand
GLPBIO
Computed properties PubChem CID 44129648 · XLogP 5 · TPSA 55.6 Ų · H-bond donors 1
XLogP
5
TPSA
55.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
31

SMILES CC1=CC(=CC(=C1)[C@@H]2CCCN2CC3=CC=C(C=C3)OC4=C(C=C(C=C4)C(=O)N)F)C

Computed descriptors from PubChem (CID 44129648), 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
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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