Products for Research Use Only

PI3K inhibitor C 96

CAT: 0013-GTR19199792-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199792-01Size:25 mg
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Description
C 96 is a phosphatidylinositol 3-kinase (PI3K) inhibitor. It demonstrates potent anti-myeloma efficacy in both cellular assays and animal models, supporting its use in oncology research focused on hematological malignancies and PI3K pathway signaling.
CAS Number
1502813-63-9
Field of Research
Cell Biology, Pharmacology & Drug Discovery, Signal Transduction
Smiles
O=C1NC (=O) \C (=C\C=C\C2=CC=CS2) C (=O) N1
Molecular Formula
C11H8N2O3S
Molecular Weight
248.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
CAS Number1502813-63-9
PubChem CID869810
IUPAC Name5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
Molecular FormulaC11H8N2O3S
Molecular Weight248.26
XLogP1.3
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity406
SMILES
C1=CSC(=C1)/C=C/C=C2C(=O)NC(=O)NC2=O
InChI
InChI=1S/C11H8N2O3S/c14-9-8(10(15)13-11(16)12-9)5-1-3-7-4-2-6-17-7/h1-6H,(H2,12,13,14,15,16)/b3-1+
InChIKey
XVDGTYMDHFXORY-HNQUOIGGSA-N
Chemical Structure
2D Structure
2D structure of 5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
CAS: 1502813-63-9
CID: 869810
Formula: C11H8N2O3S
MW: 248.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight248.26
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass248.02556330
Monoisotopic Mass248.02556330
Topological Polar Surface Area104 Ų
Heavy Atom Count17
Formal Charge0
Complexity406
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes