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SGK1-IN-4

CAT: 0607-BA8345-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8345-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1628048-93-0
Form
A solid
Molecular Formula
C23H21ClFN5O4S
Molecular Weight
517.96
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

Sgk1-IN-4
CAS Number1628048-93-0
PubChem CID90421307
IUPAC Name5-chloro-2-fluoro-N-[4-[4-(4-hydroxycyclohexyl)oxy-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]benzenesulfonamide
Molecular FormulaC23H21ClFN5O4S
Molecular Weight518.0
XLogP4
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity806
SMILES
C1CC(CCC1O)OC2=NC(=NC3=C2C=NN3)C4=CC=C(C=C4)NS(=O)(=O)C5=C(C=CC(=C5)Cl)F
InChI
InChI=1S/C23H21ClFN5O4S/c24-14-3-10-19(25)20(11-14)35(32,33)30-15-4-1-13(2-5-15)21-27-22-18(12-26-29-22)23(28-21)34-17-8-6-16(31)7-9-17/h1-5,10-12,16-17,30-31H,6-9H2,(H,26,27,28,29)
InChIKey
IKBMUGXVSJZWGW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sgk1-IN-4
CAS: 1628048-93-0
CID: 90421307
Formula: C23H21ClFN5O4S
MW: 518.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.0
XLogP34
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass517.0986812
Monoisotopic Mass517.0986812
Topological Polar Surface Area138 Ų
Heavy Atom Count35
Formal Charge0
Complexity806
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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