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KPU-300

CAT: 0931-T200237-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T200237-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1620692-60-5
Target
Microtubule Associated
Related Pathways
Cytoskeletal Signaling
Bioactivity
KPU-300 (compound 6b), functioning as a tubulin inhibitor, exhibits pronounced cytotoxic effects, boasting an IC 50 value of 7.0 nM against HT-29 cells.
Smiles
C(\C1=CC(C(=O)C2=CC=CC=C2)=CC=C1)=C\3/C(=O)N/C(=C\C4=CC=CC=N4)/C(=O)N3
Molecular Formula
C24H17N3O3
Molecular Weight
395.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(3Z,6Z)-3-[(3-benzoylphenyl)methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione
CAS Number1620692-60-5
PubChem CID102222772
IUPAC Name(3Z,6Z)-3-[(3-benzoylphenyl)methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione
Molecular FormulaC24H17N3O3
Molecular Weight395.4
XLogP3.2
Topological Polar Surface Area88.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity736
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2)/C=C\3/C(=O)N/C(=C\C4=CC=CC=N4)/C(=O)N3
InChI
InChI=1S/C24H17N3O3/c28-22(17-8-2-1-3-9-17)18-10-6-7-16(13-18)14-20-23(29)27-21(24(30)26-20)15-19-11-4-5-12-25-19/h1-15H,(H,26,30)(H,27,29)/b20-14-,21-15-
InChIKey
CDRIOEPHHOSTPX-SIBCGJTDSA-N
Chemical Structure
2D Structure
2D structure of (3Z,6Z)-3-[(3-benzoylphenyl)methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione
CAS: 1620692-60-5
CID: 102222772
Formula: C24H17N3O3
MW: 395.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.4
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass395.12699141
Monoisotopic Mass395.12699141
Topological Polar Surface Area88.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity736
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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