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JNK-IN-8

CAT: 0127-BISN0191-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0127-BISN0191-01Size:2 mg
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CAS Number
1410880-22-6
Smiles
CN(C)CC=CC(=O)Nc1cccc(c1)C(=O)Nc2ccc(Nc3nccc(n3)c4cccnc4)c(C)c2
Additionnal Information
Keep Cold
Storage Conditions
Store at 2-8°C
Notes
MAPK/ERK Signalling Pathway

Chemical Information

Jnk-IN-8

3-[[4-(dimethylamino)-1-oxobut-2-enyl]amino]-N-[3-methyl-4-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide is a member of benzamides.

CAS Number1410880-22-6
PubChem CID57340686
IUPAC Name3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
Molecular FormulaC29H29N7O2
Molecular Weight507.6
XLogP3.3
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count38
Formal Charge0
Complexity791
SMILES
CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)NC(=O)/C=C/CN(C)C)NC3=NC=CC(=N3)C4=CN=CC=C4
InChI
InChI=1S/C29H29N7O2/c1-20-17-24(11-12-25(20)34-29-31-15-13-26(35-29)22-8-5-14-30-19-22)33-28(38)21-7-4-9-23(18-21)32-27(37)10-6-16-36(2)3/h4-15,17-19H,16H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b10-6+
InChIKey
GJFCSAPFHAXMSF-UXBLZVDNSA-N
Chemical Structure
2D Structure
2D structure of Jnk-IN-8
CAS: 1410880-22-6
CID: 57340686
Formula: C29H29N7O2
MW: 507.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.6
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass507.23827319
Monoisotopic Mass507.23827319
Topological Polar Surface Area112 Ų
Heavy Atom Count38
Formal Charge0
Complexity791
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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