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PK-3

CAT: 0931-T24646-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T24646-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
932331-38-9
Target
Others
Related Pathways
Others
Bioactivity
PK-3 is a cancer cell growth inhibitor. It also has microtubule-binding activity.
Smiles
S(=O)(=O)(N1C=2C(CCC1)=CC=CC2)C3=CC=C(C=C3)C=4OC(=NC4)C5CC5
Molecular Formula
C21H20N2O3S
Molecular Weight
380.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-[[4-(2-Cyclopropyl-5-oxazolyl)phenyl]sulfonyl]-1,2,3,4-tetrahydro-quinoline
CAS Number932331-38-9
PubChem CID20959075
IUPAC Name2-cyclopropyl-5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,3-oxazole
Molecular FormulaC21H20N2O3S
Molecular Weight380.5
XLogP3.7
Topological Polar Surface Area71.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity622
SMILES
C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)C4=CN=C(O4)C5CC5
InChI
InChI=1S/C21H20N2O3S/c24-27(25,23-13-3-5-15-4-1-2-6-19(15)23)18-11-9-16(10-12-18)20-14-22-21(26-20)17-7-8-17/h1-2,4,6,9-12,14,17H,3,5,7-8,13H2
InChIKey
PRXMGFKGGVZBTL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[[4-(2-Cyclopropyl-5-oxazolyl)phenyl]sulfonyl]-1,2,3,4-tetrahydro-quinoline
CAS: 932331-38-9
CID: 20959075
Formula: C21H20N2O3S
MW: 380.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.5
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass380.11946368
Monoisotopic Mass380.11946368
Topological Polar Surface Area71.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity622
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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