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JNK inhibitor IX

CAT: 0013-GTR19172784-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172784-01Size:5 mg
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Description
TCS JNK 5a (SC202671) is a potent and selective small-molecule inhibitor of JNK3 (pIC50=6.7) and JNK2 (pIC50=6.5) . It is a valuable research tool for studying JNK signaling in cellular models of neurological disorders and has been utilized in both in vitro and in vivo experimental contexts.
CAS Number
312917-14-9
Product Name Alternative
TCS JNK 5a
Field of Research
Cell Biology
Purity
>98%
Bioactivity
JNK inhibitor
Form
Powder
Solubility
Soluble in DMSO (up to 13 mg/ml with warming) or in Ethanol (up to 4 mg/ml with warming)
Smiles
O=C (NC1=C (C#N) C2=C (CCCC2) S1) C1=C2C=CC=CC2=CC=C1
Molecular Formula
C20H16N2OS
Molecular Weight
332.42
Storage Conditions
RT
Notes
For research use only.
Other Product Names
N- (3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl) -1-naphthalenecarboxamide

Chemical Information

JNK inhibitor IX

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide is a naphthalenecarboxamide.

CAS Number312917-14-9
PubChem CID766949
IUPAC NameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-1-carboxamide
Molecular FormulaC20H16N2OS
Molecular Weight332.4
XLogP5.5
Topological Polar Surface Area81.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity527
SMILES
C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC4=CC=CC=C43)C#N
InChI
InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)
InChIKey
WQGDQGAFSDMBLA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of JNK inhibitor IX
CAS: 312917-14-9
CID: 766949
Formula: C20H16N2OS
MW: 332.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.4
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass332.09833431
Monoisotopic Mass332.09833431
Topological Polar Surface Area81.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity527
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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