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Anticancer agent 32

CAT: 0931-T62427-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T62427-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2222930-76-7
Target
Apoptosis, Others
Related Pathways
Others, Apoptosis
Bioactivity
Anticancer agent 32 (compound 2g) is an anticancer compound that affects the cell cycle and induces apoptosis, making it valuable for cancer research.
Smiles
N(CC1=CC(NC(NC2=CC(C)=CC(C)=C2)=O)=CC=C1)C3=NC4=C(N=C3)C=C(F)C(F)=C4
Molecular Formula
C24H21F2N5O
Molecular Weight
433.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Anticancer agent 32
CAS Number2222930-76-7
PubChem CID141512488
IUPAC Name1-[3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]phenyl]-3-(3,5-dimethylphenyl)urea
Molecular FormulaC24H21F2N5O
Molecular Weight433.5
XLogP4.5
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity615
SMILES
CC1=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)CNC3=NC4=CC(=C(C=C4N=C3)F)F)C
InChI
InChI=1S/C24H21F2N5O/c1-14-6-15(2)8-18(7-14)30-24(32)29-17-5-3-4-16(9-17)12-28-23-13-27-21-10-19(25)20(26)11-22(21)31-23/h3-11,13H,12H2,1-2H3,(H,28,31)(H2,29,30,32)
InChIKey
QKMYYEFHARJZOA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anticancer agent 32
CAS: 2222930-76-7
CID: 141512488
Formula: C24H21F2N5O
MW: 433.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.5
XLogP34.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass433.17141663
Monoisotopic Mass433.17141663
Topological Polar Surface Area78.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity615
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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