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MPT0B392

CAT: 0931-T13779-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T13779-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1346169-92-3
Target
Others, Microtubule Associated, Caspase, Apoptosis, JNK
Related Pathways
Apoptosis, MAPK, Others, Proteases/Proteasome, Cytoskeletal Signaling
Bioactivity
MPT0B392 is an orally active quinoline derivative, induces c-Jun N-terminal kinase (JNK) activation.
Smiles
COc1ccc2nc(ccc2c1N)S(=O)(=O)c1cc(OC)c(OC)c(OC)c1
Molecular Formula
C19H20N2O6S
Molecular Weight
404.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 56834893
CAS Number1346169-92-3
PubChem CID56834893
IUPAC Name6-methoxy-2-(3,4,5-trimethoxyphenyl)sulfonylquinolin-5-amine
Molecular FormulaC19H20N2O6S
Molecular Weight404.4
XLogP2.5
Topological Polar Surface Area118
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity598
SMILES
COC1=C(C2=C(C=C1)N=C(C=C2)S(=O)(=O)C3=CC(=C(C(=C3)OC)OC)OC)N
InChI
InChI=1S/C19H20N2O6S/c1-24-14-7-6-13-12(18(14)20)5-8-17(21-13)28(22,23)11-9-15(25-2)19(27-4)16(10-11)26-3/h5-10H,20H2,1-4H3
InChIKey
RBBRZMLZQCYQJM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 56834893
CAS: 1346169-92-3
CID: 56834893
Formula: C19H20N2O6S
MW: 404.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight404.4
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass404.10420754
Monoisotopic Mass404.10420754
Topological Polar Surface Area118 Ų
Heavy Atom Count28
Formal Charge0
Complexity598
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