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(S) -MCOPPB

CAT: 0013-GTR19253462-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19253462-02Size:10 mg
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Description
(S) -MCOPPB is the S-enantiomer of MCOPPB, an orally active selective agonist for the Nociceptin/Orphanin FQ-Receptor. It inhibits signal transduction in mouse brain NOP receptors and is utilized in anxiety disorder research.
CAS Number
1108147-70-1
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Smiles
CC1 (N2CCC (N3C (=NC=4C3=CC=CC4) [C@H]5CCCNC5) CC2) CCCCCCC1
Molecular Formula
C26H40N4
Molecular Weight
408.623
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(S)-Mcoppb
CAS Number1108147-70-1
PubChem CID25208097
IUPAC Name1-[1-(1-methylcyclooctyl)piperidin-4-yl]-2-[(3S)-piperidin-3-yl]benzimidazole
Molecular FormulaC26H40N4
Molecular Weight408.6
XLogP5.2
Topological Polar Surface Area33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity535
SMILES
CC1(CCCCCCC1)N2CCC(CC2)N3C4=CC=CC=C4N=C3[C@H]5CCCNC5
InChI
InChI=1S/C26H40N4/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3/t21-/m0/s1
InChIKey
CYYNMPPFEJPBJD-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of (S)-Mcoppb
CAS: 1108147-70-1
CID: 25208097
Formula: C26H40N4
MW: 408.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight408.6
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass408.32529729
Monoisotopic Mass408.32529729
Topological Polar Surface Area33.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity535
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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