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WAY-118959-A - 10mM in DMSO, high purity , CAS No.315703-81-2
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
anticancer agents; modulating sirtuin activity; HCV replication inhibition; antitumor agents.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Aniline and substituted anilines
Intermediate Tree Nodes
Not available
Direct Parent
Methoxyanilines
Alternative Parents
Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 2,4-disubstituted thiazoles N-substituted imidazoles 2-amino-1,3-thiazoles Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - 1,3-thiazol-2-amine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Thiazole - Ether - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as methoxyanilines. These are organic compound containing an aniline group substituted at one or more positions by a methoxy group.
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
3.49
HBD Count
1
Rotatable Bond
4
Names and Identifiers
IUPAC Name
N-(4-methoxyphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine
INCHI
InChI=1S/C16H14N4OS2/c1-10-14(20-7-8-22-16(20)17-10)13-9-23-15(19-13)18-11-3-5-12(21-2)6-4-11/h3-9H,1-2H3,(H,18,19)
InChIKey
YYYAGFCFCHCRAN-UHFFFAOYSA-N
Smiles
CC1=C(N2C=CSC2=N1)C3=CSC(=N3)NC4=CC=C(C=C4)OC
Isomeric SMILES
CC1=C(N2C=CSC2=N1)C3=CSC(=N3)NC4=CC=C(C=C4)OC
PubChem CID
2877425
Molecular Weight
342.4
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
DMSO(mM) Max Solubility
10
Molecular Weight
342.400 g/mol
XLogP3
4.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
4
Exact Mass
342.061 Da
Monoisotopic Mass
342.061 Da
Topological Polar Surface Area
108.000 Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
408.000
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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