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CL-412730 - 10mM in DMSO, high purity , CAS No.311777-48-7
Basic Description
Specifications & Purity
10mM in DMSO
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.
Product Description
potentiator and inhibitors of UCH-L1
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
N-alkylindoles
Intermediate Tree Nodes
Not available
Direct Parent
N-alkylindoles
Alternative Parents
Indoles N-arylamides Methylpyridines Alkylarylthioethers Substituted pyrroles Imidolactams Benzenoids 1,2,4-triazines Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-alkylindole - Indole - Aryl thioether - N-arylamide - Methylpyridine - Alkylarylthioether - Pyridine - 1,2,4-triazine - Imidolactam - Benzenoid - Substituted pyrrole - Triazine - Pyrrole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Thioether - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position.
External Descriptors
Not available
Data sources
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.
Product Properties
ALogP
3.833
HBD Count
1
Rotatable Bond
5
Names and Identifiers
IUPAC Name
2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-methylpyridin-2-yl)acetamide
INCHI
InChI=1S/C19H18N6OS/c1-3-25-14-7-5-4-6-13(14)17-18(25)22-19(24-23-17)27-11-16(26)21-15-10-12(2)8-9-20-15/h4-10H,3,11H2,1-2H3,(H,20,21,26)
InChIKey
HLTLVBIHCVKEDR-UHFFFAOYSA-N
Smiles
CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=NC=CC(=C4)C
Isomeric SMILES
CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=NC=CC(=C4)C
PubChem CID
3129875
Molecular Weight
378.45
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
DMSO(mM) Max Solubility
10
Molecular Weight
378.500 g/mol
XLogP3
2.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
5
Exact Mass
378.126 Da
Monoisotopic Mass
378.126 Da
Topological Polar Surface Area
111.000 Ų
Heavy Atom Count
27
Formal Charge
0
Complexity
522.000
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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