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(5-(4-Chlorophenyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone - 95%, high purity , CAS No.1072874-79-3

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(5-(4-Chlorophenyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone - 95%, high purity , CAS No.1072874-79-3

COA

Grade & Purity:

≥95%

Cas Number: 1072874-79-3
Molecular Weight: 486.88
PubChem CID: 25054135

In stock

Item Number

C189581

Grouped product items
SKU	Size	Availability	Price	Qty
C189581-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,495.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpiperazines
Alternative Parents	Phenylpyridines N-arylpiperazines Trifluoromethylbenzenes Triazolopyridines Piperazine carboxamides Aniline and substituted anilines Dialkylarylamines Chlorobenzenes Aryl chlorides Heteroaromatic compounds Triazoles Azacyclic compounds Organic oxides Organofluorides Hydrocarbon derivatives Organooxygen compounds Alkyl fluorides Organochlorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenylpiperazine - 2-phenylpyridine - N-arylpiperazine - Trifluoromethylbenzene - Piperazine-1-carboxamide - Triazolopyridine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Azole - 1,2,3-triazole - Tertiary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl fluoride - Alkyl halide - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
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)

FAAH Tchem Fatty-acid amide hydrolase 1 (1 Activities)

Discover Target: FAAH

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

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	[5-(4-chlorophenyl)triazolo[4,5-b]pyridin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
INCHI	InChI=1S/C23H18ClF3N6O/c24-17-6-4-15(5-7-17)19-8-9-20-21(28-19)33(30-29-20)22(34)32-12-10-31(11-13-32)18-3-1-2-16(14-18)23(25,26)27/h1-9,14H,10-13H2
InChIKey	GQZISVAEKVEVFV-UHFFFAOYSA-N
Smiles	C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)N3C4=C(C=CC(=N4)C5=CC=C(C=C5)Cl)N=N3
Isomeric SMILES	C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)N3C4=C(C=CC(=N4)C5=CC=C(C=C5)Cl)N=N3
Molecular Weight	486.88
Reaxy-Rn	19947271
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19947271&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	486.900 g/mol
XLogP3	5.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	486.118 Da
Monoisotopic Mass	486.118 Da
Topological Polar Surface Area	67.200 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	713.000
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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