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Varenicline - 10mM in DMSO, high purity , CAS No.249296-44-4, Neuronal acetylcholine receptor; alpha4/beta2 partial agonist

COA

Grade & Purity:

Moligand™

10mM in DMSO

Cas Number: 249296-44-4
Molecular Weight: 211.26
PubChem CID: 170361

In stock

Item Number

V422860

Grouped product items
SKU	Size	Availability	Price	Qty
V422860-1ml	1ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$290.90

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Compound libraries (12325) Ion channel (2197)

Basic Description

Synonyms	Varenicline \| 249296-44-4 \| 6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro- \| 5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene \| Varenicline (INN) \| CHEMBL556954 \| CP-526555 \| NCGC00247735-01 \| NCGC00247735-02 \| CHEMBL1396 \| SCHEMBL2
Specifications & Purity	Moligand™, 10mM in DMSO
Biochemical and Physiological Mechanisms	Varenicline(CP 526555; Champix; Chantix) is a prescription medication used to treat smoking addiction. As a partial agonist it both reduces cravings for and decreases the pleasurable effects of cigarettes and other tobacco products. Throu
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	AGONIST, PARTIAL AGONIST
Mechanism of action	Neuronal acetylcholine receptor; alpha4/beta2 partial agonist

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzazepines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzazepines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzazepines
Alternative Parents	Quinoxalines Indanes Azepines Aralkylamines Pyrazines Piperidines Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzazepine - Diazanaphthalene - Quinoxaline - Indane - Azepine - Aralkylamine - Piperidine - Benzenoid - Pyrazine - Heteroaromatic compound - Secondary aliphatic amine - Azacycle - Secondary amine - Hydrocarbon derivative - Amine - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
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)

CHRNA7 Tchem Neuronal acetylcholine receptor subunit alpha-7 (1 Activities)

Discover Target: CHRNA7

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

Names and Identifiers

IUPAC Name	5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
INCHI	InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
InChIKey	JQSHBVHOMNKWFT-UHFFFAOYSA-N
Smiles	C1C2CNCC1C3=CC4=NC=CN=C4C=C23
Isomeric SMILES	C1C2CNCC1C3=CC4=NC=CN=C4C=C23
PubChem CID	170361
Molecular Weight	211.26

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	211.260 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	211.111 Da
Monoisotopic Mass	211.111 Da
Topological Polar Surface Area	37.800 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	254.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
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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