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Chemical structure of J-113397

GC70385

J-113397

Also known as 1-[(3R,4R)-1-(cyclooctylmethyl)-3-(hydroxymethyl)piperidin-4-yl]-3-ethylbenzimidazol-2-one

J-113397 is the first potent and selective nonpeptidyl ORL1 receptor antagonist (Ki: cloned human ORL1=1·8 nM) without any agonistic effects on other opioid receptors

ChemicalCAS256640-45-6MW399.57FormulaC24H37N3O2
CAS number
256640-45-6
Molecular weight
399.57
Formula
C24H37N3O2
Solubility
DMSO ： ≥ 300 mg/mL (750·81 mM)
InChIKey
MBGVUMXBUGIIBQ-LEWJYISDSA-N
Catalogue number
GC70385
Brand
GLPBIO
Computed properties PubChem CID 5311194 · XLogP 4.6 · TPSA 47 Ų · H-bond donors 1
XLogP
4.6
TPSA
47 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
29

SMILES CCN1C2=CC=CC=C2N(C1=O)[C@@H]3CCN(C[C@H]3CO)CC4CCCCCCC4

Computed descriptors from PubChem (CID 5311194), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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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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