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Zabedosertib

CAT: 0607-BA6054-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-BA6054-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1931994-81-8
Form
A solid
Molecular Formula
C20H21F3N4O4S
Molecular Weight
470.47
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Zabedosertib

IRAK4 kinase inhibitor

CAS Number1931994-81-8
PubChem CID121364961
IUPAC NameN-[6-(2-hydroxypropan-2-yl)-2-(2-methylsulfonylethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
Molecular FormulaC20H21F3N4O4S
Molecular Weight470.5
XLogP2.2
Topological Polar Surface Area123
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity787
SMILES
CC(C)(C1=CC2=NN(C=C2C=C1NC(=O)C3=NC(=CC=C3)C(F)(F)F)CCS(=O)(=O)C)O
InChI
InChI=1S/C20H21F3N4O4S/c1-19(2,29)13-10-15-12(11-27(26-15)7-8-32(3,30)31)9-16(13)25-18(28)14-5-4-6-17(24-14)20(21,22)23/h4-6,9-11,29H,7-8H2,1-3H3,(H,25,28)
InChIKey
OQAMEEFUUFJZRS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Zabedosertib
CAS: 1931994-81-8
CID: 121364961
Formula: C20H21F3N4O4S
MW: 470.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.5
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass470.12356082
Monoisotopic Mass470.12356082
Topological Polar Surface Area123 Ų
Heavy Atom Count32
Formal Charge0
Complexity787
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

Alternative Products

CatalogName
HY-139374-01Zabedosertib

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