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JNK-IN-13

CAT: 0931-T77694-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T77694-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
345986-38-1
Target
JNK
Related Pathways
MAPK
Purity
0.9874
Bioactivity
JNK-IN-13 is a selective and potent JNK inhibitor that inhibits JNK3 and JNK2 and can be used in the study of diabetes, inflammation, and neurological disorders.
Smiles
Clc1nccc(n1)C(C#N)c1nc2ccccc2s1
Molecular Formula
C13H7ClN4S
Molecular Weight
286.74
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(Benzo[d]thiazol-2-yl)-2-(2-chloropyrimidin-4-yl)acetonitrile
CAS Number345986-38-1
PubChem CID395229
IUPAC Name2-(1,3-benzothiazol-2-yl)-2-(2-chloropyrimidin-4-yl)acetonitrile
Molecular FormulaC13H7ClN4S
Molecular Weight286.74
XLogP3
Topological Polar Surface Area90.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity371
SMILES
C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)Cl
InChI
InChI=1S/C13H7ClN4S/c14-13-16-6-5-9(18-13)8(7-15)12-17-10-3-1-2-4-11(10)19-12/h1-6,8H
InChIKey
QVMKLKBODZHJDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Benzo[d]thiazol-2-yl)-2-(2-chloropyrimidin-4-yl)acetonitrile
CAS: 345986-38-1
CID: 395229
Formula: C13H7ClN4S
MW: 286.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.74
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass286.0079951
Monoisotopic Mass286.0079951
Topological Polar Surface Area90.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity371
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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