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PI5P4Kα-IN-1

CAT: 0607-BA8276-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8276-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2428737-31-7
Form
A solid
Molecular Formula
C20H17N3O2S
Molecular Weight
363.43
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

PI5P4Kalpha-IN-1
CAS Number2428737-31-7
PubChem CID155524400
IUPAC NameN-[4-[5-(1H-indol-4-yl)-3-pyridinyl]phenyl]methanesulfonamide
Molecular FormulaC20H17N3O2S
Molecular Weight363.4
XLogP3.2
Topological Polar Surface Area83.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity568
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)C2=CC(=CN=C2)C3=C4C=CNC4=CC=C3
InChI
InChI=1S/C20H17N3O2S/c1-26(24,25)23-17-7-5-14(6-8-17)15-11-16(13-21-12-15)18-3-2-4-20-19(18)9-10-22-20/h2-13,22-23H,1H3
InChIKey
KKMZWHRTQLNOCF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PI5P4Kalpha-IN-1
CAS: 2428737-31-7
CID: 155524400
Formula: C20H17N3O2S
MW: 363.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight363.4
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass363.10414797
Monoisotopic Mass363.10414797
Topological Polar Surface Area83.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity568
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