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JNK-IN-7 2mg

CAT: 0628-A15136-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0628-A15136-2Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1408064-71-0

Chemical Information

Jnk-IN-7
CAS Number1408064-71-0
PubChem CID57340685
IUPAC Name3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
Molecular FormulaC28H27N7O2
Molecular Weight493.6
XLogP3
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity753
SMILES
CN(C)C/C=C/C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CN=CC=C4
InChI
InChI=1S/C28H27N7O2/c1-35(2)17-5-9-26(36)31-24-8-3-6-20(18-24)27(37)32-22-10-12-23(13-11-22)33-28-30-16-14-25(34-28)21-7-4-15-29-19-21/h3-16,18-19H,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)/b9-5+
InChIKey
RADRIIWGHYFWPP-WEVVVXLNSA-N
Chemical Structure
2D Structure
2D structure of Jnk-IN-7
CAS: 1408064-71-0
CID: 57340685
Formula: C28H27N7O2
MW: 493.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight493.6
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass493.22262313
Monoisotopic Mass493.22262313
Topological Polar Surface Area112 Ų
Heavy Atom Count37
Formal Charge0
Complexity753
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

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CatalogName
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