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KH-CB19

CAT: 0931-T15657-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T15657-01Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1354037-26-5
Target
CDK, Others
Related Pathways
Others, Cell Cycle/Checkpoint
Bioactivity
KH-CB19 is an effective and highly specific inhibitor of the CDC2-like kinase isoforms 1 and 4 (CLK1/CLK4) .
Smiles
CCOC(=O)c1c(\C(=C/N)C#N)c2ccc(Cl)c(Cl)c2n1C
Molecular Formula
C15H13Cl2N3O2
Molecular Weight
338.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

KH-CB19
CAS Number1354037-26-5
PubChem CID44237094
IUPAC Nameethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methylindole-2-carboxylate
Molecular FormulaC15H13Cl2N3O2
Molecular Weight338.2
XLogP3.1
Topological Polar Surface Area81
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity516
SMILES
CCOC(=O)C1=C(C2=C(N1C)C(=C(C=C2)Cl)Cl)/C(=C\N)/C#N
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-
InChIKey
CXJCGSPAPOTTSF-VURMDHGXSA-N
Chemical Structure
2D Structure
2D structure of KH-CB19
CAS: 1354037-26-5
CID: 44237094
Formula: C15H13Cl2N3O2
MW: 338.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight338.2
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass337.0384821
Monoisotopic Mass337.0384821
Topological Polar Surface Area81 Ų
Heavy Atom Count22
Formal Charge0
Complexity516
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes