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JNK-IN-21

CAT: 0931-T204504-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T204504-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
756849-36-2
Target
JNK
Related Pathways
MAPK
Bioactivity
JNK-IN-21 (Compound 62) is an inhibitor of JNK-1.
Smiles
O=C(N)C=1C=CSC1NC(=O)CC=2C=CC(=CC2)C=3C=CC=CC3
Molecular Formula
C19H16N2O2S
Molecular Weight
336.408
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(2-([1,1'-Biphenyl]-4-yl)acetamido)thiophene-3-carboxamide
CAS Number756849-36-2
PubChem CID2128371
IUPAC Name2-[[2-(4-phenylphenyl)acetyl]amino]thiophene-3-carboxamide
Molecular FormulaC19H16N2O2S
Molecular Weight336.4
XLogP3.8
Topological Polar Surface Area100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity443
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)NC3=C(C=CS3)C(=O)N
InChI
InChI=1S/C19H16N2O2S/c20-18(23)16-10-11-24-19(16)21-17(22)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11H,12H2,(H2,20,23)(H,21,22)
InChIKey
YYXUXBGOPPLOIM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-([1,1'-Biphenyl]-4-yl)acetamido)thiophene-3-carboxamide
CAS: 756849-36-2
CID: 2128371
Formula: C19H16N2O2S
MW: 336.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.4
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass336.09324893
Monoisotopic Mass336.09324893
Topological Polar Surface Area100 Ų
Heavy Atom Count24
Formal Charge0
Complexity443
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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