MCOPPB trihydrochloride hydrate - Moligand™, ≥98%(HPLC) , Agonist of NOP receptor, CAS No.1028969-49-4, Agonist of NOP receptor

CAS: 1028969-49-4 Cat. No.: M165532 Molecular Weight: 408.6 PubChem CID: 24800108
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%(HPLC)
Synonyms
1-(1-(1-methylcyclooctyl)-4-piperidinyl)-2-((3r)-3-piperidinyl)-1h-benzimidazole | 1028969-49-4 | AKOS040744820 | MCOPPB 3HCl | NCGC00346896-02 | 1-[1-(1-methylcyclooctyl)piperidin-4-yl]-2-[(3R)-piperidin-3-yl]benzimidazole | 1H-Benzimidazole, 1-(1-(1-met
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
M165532-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$316.90

$369.90
Save $53.00 (14.33%)
25mg
M165532-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,205.90

$1,406.90
Save $201.00 (14.29%)
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™, ≥98%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
1-(1-(1-methylcyclooctyl)-4-piperidinyl)-2-((3r)-3-piperidinyl)-1h-benzimidazole | 1028969-49-4 | AKOS040744820 | MCOPPB 3HCl | NCGC00346896-02 | 1-[1-(1-methylcyclooctyl)piperidin-4-yl]-2-[(3R)-piperidin-3-yl]benzimidazole | 1H-Benzimidazole, 1-(1-(1-met
Specifications & Purity
Moligand™, ≥98%(HPLC)
Storage
Room temperature
Shipped In
Normal
Grade
Moligand™
Action Type
AGONIST
Mechanism of action
Agonist of NOP receptor
Purity
≥98%(HPLC)
Names and Identifiers
Canonical SmilesCC1(CCCCCCC1)N2CCC(CC2)N3C4=CC=CC=C4N=C3C5CCCNC5
IUPAC Name1-[1-(1-methylcyclooctyl)piperidin-4-yl]-2-[(3R)-piperidin-3-yl]benzimidazole
InChIKeyCYYNMPPFEJPBJD-OAQYLSRUSA-N
INCHI1S/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-/m1/s1
Isomeric SMILES CC1(CCCCCCC1)N2CCC(CC2)N3C4=CC=CC=C4N=C3[C@@H]5CCCNC5
PubChem CID 24800108
Molecular Weight 408.6

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzimidazoles
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzimidazoles
Alternative Parents Aralkylamines  Piperidines  N-substituted imidazoles  Benzenoids  Heteroaromatic compounds  Trialkylamines  Dialkylamines  Azacyclic compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzimidazole - Aralkylamine - Benzenoid - N-substituted imidazole - Piperidine - Azole - Heteroaromatic compound - Imidazole - Tertiary aliphatic amine - Tertiary amine - Secondary aliphatic amine - Azacycle - Secondary amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
OPRK1 Tclin Kappa-type opioid receptor (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
OPRL1 Tchem Nociceptin receptor (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
OPRM1 Tclin Mu-type opioid receptor (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
OPRM1 Tclin Mu opioid receptor (19785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRD1 Tclin Delta opioid receptor (15096 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRK1 Tclin Kappa opioid receptor (16155 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRL1 Tchem Nociceptin receptor (3823 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight408.600 g/mol
XLogP35.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass408.325 Da
Monoisotopic Mass408.325 Da
Topological Polar Surface Area33.100 Ų
Heavy Atom Count30
Formal Charge0
Complexity535.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

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