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Antiproliferative agent-15

CAT: 1410-M35822-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Antiproliferative agent-15 is a reagent with anticancer activity. Antiproliferative agent-15 showed antiproliferative activity against human colon cancer (HCT116 and HCT15) and brain cancer (LN-229 and GBM-10) .
CAS Number
19819-18-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
282.36
Molecular Formula
C16H14N2OS
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

5,6,7,8-Tetrahydro-2-phenyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one
CAS Number19819-18-2
PubChem CID209396
IUPAC Name2-phenyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Molecular FormulaC16H14N2OS
Molecular Weight282.4
XLogP3.6
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity430
SMILES
C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=CC=CC=C4
InChI
InChI=1S/C16H14N2OS/c19-15-13-11-8-4-5-9-12(11)20-16(13)18-14(17-15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,17,18,19)
InChIKey
CDFWRIZOSNAGCV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,6,7,8-Tetrahydro-2-phenyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one
CAS: 19819-18-2
CID: 209396
Formula: C16H14N2OS
MW: 282.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass282.08268425
Monoisotopic Mass282.08268425
Topological Polar Surface Area69.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity430
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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