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J30-8

CAT: 0013-GTR19244388-04Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19244388-04Size:2 mg
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Description
J30-8 is a potent and isoform-selective inhibitor of c-Jun N-terminal kinase 3 (JNK3) with an IC50 of 40 nM, which 2500-fold isoform selectivity against JNK1α1 and JNK2α2. J30-8 exhibits neuroprotective activity in vitro and potential for the treatment of neurodegenerative diseases.
CAS Number
2366255-71-0
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 6.67 mg/mL (17.84 mM; Ultrasonic (<60°C)
Smiles
Fc1ccc2NC (=O) \C (=C3/S\C (NC3=O) =N/c3ccccc3Cl) c2c1
Molecular Formula
C17H9ClFN3O2S
Molecular Weight
373.79
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

(3Z)-3-{(2Z)-2-[(2-chlorophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-5-fluoro-1,3-dihydro-2H-indol-2-one
CAS Number2366255-71-0
PubChem CID4078145
IUPAC Name3-[2-(2-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one
Molecular FormulaC17H9ClFN3O2S
Molecular Weight373.8
XLogP3.9
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity721
SMILES
C1=CC=C(C(=C1)NC2=NC(=C(S2)C3=C4C=C(C=CC4=NC3=O)F)O)Cl
InChI
InChI=1S/C17H9ClFN3O2S/c18-10-3-1-2-4-12(10)21-17-22-16(24)14(25-17)13-9-7-8(19)5-6-11(9)20-15(13)23/h1-7,24H,(H,21,22)
InChIKey
BDCJVPSBCYWSSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3Z)-3-{(2Z)-2-[(2-chlorophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-5-fluoro-1,3-dihydro-2H-indol-2-one
CAS: 2366255-71-0
CID: 4078145
Formula: C17H9ClFN3O2S
MW: 373.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight373.8
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass373.0088036
Monoisotopic Mass373.0088036
Topological Polar Surface Area103 Ų
Heavy Atom Count25
Formal Charge0
Complexity721
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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