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GSK3179106

CAT: 0607-BA9000-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA9000-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1627856-64-7
Form
A solid
Molecular Formula
C22H21F4N3O4
Molecular Weight
467.41
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Gsk-3179106
CAS Number1627856-64-7
PubChem CID78427026
IUPAC Name2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide
Molecular FormulaC22H21F4N3O4
Molecular Weight467.4
XLogP3.4
Topological Polar Surface Area93.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity812
SMILES
CCOC1=CC(=O)NC=C1C2=CC(=C(C=C2)CC(=O)NC3=NOC(=C3)C(C)(C)C(F)(F)F)F
InChI
InChI=1S/C22H21F4N3O4/c1-4-32-16-9-19(30)27-11-14(16)12-5-6-13(15(23)7-12)8-20(31)28-18-10-17(33-29-18)21(2,3)22(24,25)26/h5-7,9-11H,4,8H2,1-3H3,(H,27,30)(H,28,29,31)
InChIKey
IDXKJSSOUXWLDB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gsk-3179106
CAS: 1627856-64-7
CID: 78427026
Formula: C22H21F4N3O4
MW: 467.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight467.4
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass467.14681881
Monoisotopic Mass467.14681881
Topological Polar Surface Area93.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity812
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
555258GSK3179106
A20434-10GSK3179106 10mg
A20434-5GSK3179106 5mg
HY-100459RGSK3179106 (Standard)
A20434-100GSK3179106 100mg
A20434-50GSK3179106 50mg
A20434-25GSK3179106 25mg
A20434-1GSK3179106 1mg
A20434-10mM-DGSK3179106 10mM * 1mL in DMSO

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