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C-215 , CAS No.912780-51-9

COA

Cas Number: 912780-51-9
Molecular Weight: 334.2
PubChem CID: 6621371

In stock

Item Number

C412402

Grouped product items
SKU	Size	Availability	Price	Qty
C412402-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$927.90
C412402-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,802.90

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Anti-infection (2803) Bacterial (3013)

Basic Description

Biochemical and Physiological Mechanisms	C-215 is a novel mycobacterial membrane protein large 3 (MmpL3) inhibitor with MIC90 of 16 uM against M. tuberculosis.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Information C-215 is a novel mycobacterial membrane protein large 3 (MmpL3) inhibitor with MIC90 of 16 uM against M. tuberculosis.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzimidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzimidazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzimidazoles
Alternative Parents	Phenylmethylamines Dichlorobenzenes Benzylamines Secondary alkylarylamines Aralkylamines N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzimidazole - Benzylamine - 1,3-dichlorobenzene - Phenylmethylamine - Chlorobenzene - Aralkylamine - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Imidazole - Heteroaromatic compound - Azole - Azacycle - Secondary amine - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This 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
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

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	N-[(2,4-dichlorophenyl)methyl]-1-propylbenzimidazol-5-amine
INCHI	InChI=1S/C17H17Cl2N3/c1-2-7-22-11-21-16-9-14(5-6-17(16)22)20-10-12-3-4-13(18)8-15(12)19/h3-6,8-9,11,20H,2,7,10H2,1H3
InChIKey	PWEPSIFNTIQCNN-UHFFFAOYSA-N
Smiles	CCCN1C=NC2=C1C=CC(=C2)NCC3=C(C=C(C=C3)Cl)Cl
Isomeric SMILES	CCCN1C=NC2=C1C=CC(=C2)NCC3=C(C=C(C=C3)Cl)Cl
Molecular Weight	334.2
Reaxy-Rn	26636979
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26636979&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	334.200 g/mol
XLogP3	5.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	333.08 Da
Monoisotopic Mass	333.08 Da
Topological Polar Surface Area	29.900 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	355.000
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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