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Methanone, (2-methoxy-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)- , CAS No.824960-76-1

COA

Cas Number: 824960-76-1
Molecular Weight: 371.5
PubChem CID: 11268746

In stock

Item Number

M669128

Grouped product items
SKU	Size	Availability	Price	Qty
M669128-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
M669128-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

Basic Description

Synonyms	Methanone, (2-methoxy-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)- \| JWH-267 \| C2Z4BXW5TJ \| JWH-081 2-methoxynaphthyl isomer \| (2-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone \| UNII-C2Z4BXW5TJ \| JWH 081 2-methoxynaphthyl isomer \| (2-Methoxy-1-naphtha

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Naphthoylindoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Naphthoylindoles
Intermediate Tree Nodes	Not available
Direct Parent	Naphthoylindoles
Alternative Parents	Benzoylindoles Naphthalenecarboxylic acids and derivatives Indolecarboxylic acids and derivatives N-alkylindoles Indoles Aryl ketones Anisoles Alkyl aryl ethers Substituted pyrroles Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Naphthoylindole - Benzoylindole - 1-naphthalenecarboxylic acid or derivatives - Indolecarboxylic acid derivative - N-alkylindole - Naphthalene - Indole - Anisole - Phenol ether - Aryl ketone - Alkyl aryl ether - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Vinylogous amide - Ketone - Azacycle - Ether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as naphthoylindoles. These are polycyclic compounds containing an indole moiety that is N-linked to the carboxamide group attached to naphthalene.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CNR2 Tchem Cannabinoid receptor 2 (1 Activities)

Discover Target: CNR2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

Discover Target: CNR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CNR2 Tchem Cannabinoid CB2 receptor (16942 Activities)

Discover Target: CNR2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(2-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
INCHI	InChI=1S/C25H25NO2/c1-3-4-9-16-26-17-21(20-12-7-8-13-22(20)26)25(27)24-19-11-6-5-10-18(19)14-15-23(24)28-2/h5-8,10-15,17H,3-4,9,16H2,1-2H3
InChIKey	BWBLGFVKOJDYSU-UHFFFAOYSA-N
Smiles	CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=C(C=CC4=CC=CC=C43)OC
Isomeric SMILES	CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=C(C=CC4=CC=CC=C43)OC
PubChem CID	11268746
Molecular Weight	371.5

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	371.500 g/mol
XLogP3	6.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	371.189 Da
Monoisotopic Mass	371.189 Da
Topological Polar Surface Area	31.200 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	521.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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