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K812

CAT: 0931-T70892-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T70892-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1355228-39-5
Target
Others
Related Pathways
Others
Bioactivity
K812 is an ASK1-specific inhibitor discovered to prolong survival in a mouse model of amyotrophic lateral sclerosis.
Smiles
C(C)(C)N1C=2C(C(=O)C(C(NC3=CC=C(OC=4C5=C(C=C(OC)C(OC)=C5)N=CC4)C=C3)=O)=C1)=CC=CC2
Molecular Formula
C30H27N3O5
Molecular Weight
509.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 56644086
CAS Number1355228-39-5
PubChem CID56644086
IUPAC NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-oxo-1-propan-2-ylquinoline-3-carboxamide
Molecular FormulaC30H27N3O5
Molecular Weight509.6
XLogP5.3
Topological Polar Surface Area90
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity870
SMILES
CC(C)N1C=C(C(=O)C2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)OC4=C5C=C(C(=CC5=NC=C4)OC)OC
InChI
InChI=1S/C30H27N3O5/c1-18(2)33-17-23(29(34)21-7-5-6-8-25(21)33)30(35)32-19-9-11-20(12-10-19)38-26-13-14-31-24-16-28(37-4)27(36-3)15-22(24)26/h5-18H,1-4H3,(H,32,35)
InChIKey
WFDAQNSWGDXBKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 56644086
CAS: 1355228-39-5
CID: 56644086
Formula: C30H27N3O5
MW: 509.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight509.6
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass509.19507097
Monoisotopic Mass509.19507097
Topological Polar Surface Area90 Ų
Heavy Atom Count38
Formal Charge0
Complexity870
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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CatalogName
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Alternative Products

CatalogName
MBS5813434K812

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