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Home Other Building Blocks KH CB19

KH CB19

CAS No.:
1354037-26-5
Catalog Number:
AG009CIN
Molecular Formula:
C15H13Cl2N3O2
Molecular Weight:
338.1886
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
99%
1 week
United States
$190
- +
5mg
99%
1 week
United States
$640
- +
Product Description
Catalog Number:
AG009CIN
Chemical Name:
KH CB19
CAS Number:
1354037-26-5
Molecular Formula:
C15H13Cl2N3O2
Molecular Weight:
338.1886
MDL Number:
MFCD20926346
IUPAC Name:
ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methylindole-2-carboxylate
InChI:
InChI=1S/C15H13Cl2N3O2/c1-3-22-15(21)14-11(8(6-18)7-19)9-4-5-10(16)12(17)13(9)20(14)2/h4-6H,3,18H2,1-2H3/b8-6-
InChI Key:
CXJCGSPAPOTTSF-VURMDHGXSA-N
SMILES:
CCOC(=O)c1c(/C(=C\N)/C#N)c2c(n1C)c(Cl)c(cc2)Cl
Properties
Complexity:
516  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
337.038g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
338.188g/mol
Monoisotopic Mass:
337.038g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Small-molecule pyrimidine inhibitors of the cdc2-like (Clk) and dual specificity tyrosine phosphorylation-regulated (Dyrk) kinases: development of chemical probe ML315. Bioorganic & medicinal chemistry letters 20130615
Liver X receptors as regulators of macrophage inflammatory and metabolic pathways. Biochimica et biophysica acta 20110801
Kinase inhibition that hinges on halogen bonds. Chemistry & biology 20110128
Specific CLK inhibitors from a novel chemotype for regulation of alternative splicing. Chemistry & biology 20110128
Properties