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GSK8814

CAT: 0607-BA4713-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA4713-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1997369-78-4
Form
A solid
Molecular Formula
C28H35F2N5O3
Molecular Weight
527.61
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Gsk8814
CAS Number1997369-78-4
PubChem CID121499171
IUPAC Name8-[[(3R,4R,5S)-3-[(4,4-difluorocyclohexyl)methoxy]-5-methoxypiperidin-4-yl]amino]-3-methyl-5-(5-methyl-3-pyridinyl)-1H-1,7-naphthyridin-2-one
Molecular FormulaC28H35F2N5O3
Molecular Weight527.6
XLogP3.3
Topological Polar Surface Area97.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity850
SMILES
CC1=CC(=CN=C1)C2=CN=C(C3=C2C=C(C(=O)N3)C)N[C@@H]4[C@H](CNC[C@H]4OCC5CCC(CC5)(F)F)OC
InChI
InChI=1S/C28H35F2N5O3/c1-16-8-19(11-31-10-16)21-12-33-26(24-20(21)9-17(2)27(36)35-24)34-25-22(37-3)13-32-14-23(25)38-15-18-4-6-28(29,30)7-5-18/h8-12,18,22-23,25,32H,4-7,13-15H2,1-3H3,(H,33,34)(H,35,36)/t22-,23+,25+/m0/s1
InChIKey
YDPMMWAOCCOULO-JBRSBNLGSA-N
Chemical Structure
2D Structure
2D structure of Gsk8814
CAS: 1997369-78-4
CID: 121499171
Formula: C28H35F2N5O3
MW: 527.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight527.6
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass527.27079632
Monoisotopic Mass527.27079632
Topological Polar Surface Area97.4 Ų
Heavy Atom Count38
Formal Charge0
Complexity850
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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