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GDC-9918

CAT: 0013-GTR19239604-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239604-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GDC-9918 is a potent and selective small molecule inhibitor targeting Janus kinases (JAKs) . It is a valuable research tool for investigating JAK-STAT signaling in immunological and inflammatory disease models, both in cellular assays and in vivo studies.
CAS Number
2570375-06-1
Field of Research
Cardiovascular Research, Epigenetics & Chromatin, Signal Transduction, Stem Cell & Developmental Biology
Smiles
O=C (NC1=CN (N=C1C=2C=C (C=CC2OC (F) F) S (=O) (=O) CCO) C) C=3C=NN4C=CC=NC34
Molecular Formula
C20H18F2N6O5S
Molecular Weight
492.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[3-[2-(difluoromethoxy)-5-(2-hydroxyethylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CAS Number2570375-06-1
PubChem CID155410467
IUPAC NameN-[3-[2-(difluoromethoxy)-5-(2-hydroxyethylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Molecular FormulaC20H18F2N6O5S
Molecular Weight492.5
XLogP0.6
Topological Polar Surface Area149
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity818
SMILES
CN1C=C(C(=N1)C2=C(C=CC(=C2)S(=O)(=O)CCO)OC(F)F)NC(=O)C3=C4N=CC=CN4N=C3
InChI
InChI=1S/C20H18F2N6O5S/c1-27-11-15(25-19(30)14-10-24-28-6-2-5-23-18(14)28)17(26-27)13-9-12(34(31,32)8-7-29)3-4-16(13)33-20(21)22/h2-6,9-11,20,29H,7-8H2,1H3,(H,25,30)
InChIKey
PIJJKGWLTMNQES-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[3-[2-(difluoromethoxy)-5-(2-hydroxyethylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CAS: 2570375-06-1
CID: 155410467
Formula: C20H18F2N6O5S
MW: 492.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.5
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass492.10274519
Monoisotopic Mass492.10274519
Topological Polar Surface Area149 Ų
Heavy Atom Count34
Formal Charge0
Complexity818
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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