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SR 3576

CAT: 0931-T23392-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T23392-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1164153-22-3
Target
Others, JNK
Related Pathways
MAPK, Others
Bioactivity
JNK3 inhibitor, potent and selective
Smiles
N(C(NC1=CC(C)=CC=C1)=O)C2=CN(N=C2)C3=CC(C(NC4=CC(OC)=C(OC)C(OC)=C4)=O)=CC=C3
Molecular Formula
C27H27N5O5
Molecular Weight
501.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(4-{[(3-Methylphenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
CAS Number1164153-22-3
PubChem CID70702008
IUPAC Name3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
Molecular FormulaC27H27N5O5
Molecular Weight501.5
XLogP3.6
Topological Polar Surface Area116
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count37
Formal Charge0
Complexity743
SMILES
CC1=CC(=CC=C1)NC(=O)NC2=CN(N=C2)C3=CC=CC(=C3)C(=O)NC4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C27H27N5O5/c1-17-7-5-9-19(11-17)30-27(34)31-21-15-28-32(16-21)22-10-6-8-18(12-22)26(33)29-20-13-23(35-2)25(37-4)24(14-20)36-3/h5-16H,1-4H3,(H,29,33)(H2,30,31,34)
InChIKey
MTFAYLZZDJGFGV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-{[(3-Methylphenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
CAS: 1164153-22-3
CID: 70702008
Formula: C27H27N5O5
MW: 501.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight501.5
XLogP33.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass501.20121898
Monoisotopic Mass501.20121898
Topological Polar Surface Area116 Ų
Heavy Atom Count37
Formal Charge0
Complexity743
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