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CDK2-IN-4 100mg

CAT: 0628-A18667-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A18667-100Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2079895-42-2

Chemical Information

CDK2 inhibitor 73
CAS Number2079895-42-2
PubChem CID123132899
IUPAC Name4-[[6-(3-phenylphenyl)-7H-purin-2-yl]amino]benzenesulfonamide
Molecular FormulaC23H18N6O2S
Molecular Weight442.5
XLogP3.8
Topological Polar Surface Area135
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity716
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)C3=C4C(=NC(=N3)NC5=CC=C(C=C5)S(=O)(=O)N)N=CN4
InChI
InChI=1S/C23H18N6O2S/c24-32(30,31)19-11-9-18(10-12-19)27-23-28-20(21-22(29-23)26-14-25-21)17-8-4-7-16(13-17)15-5-2-1-3-6-15/h1-14H,(H2,24,30,31)(H2,25,26,27,28,29)
InChIKey
FUGRWXRQJGJIER-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CDK2 inhibitor 73
CAS: 2079895-42-2
CID: 123132899
Formula: C23H18N6O2S
MW: 442.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.5
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass442.12119501
Monoisotopic Mass442.12119501
Topological Polar Surface Area135 Ų
Heavy Atom Count32
Formal Charge0
Complexity716
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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