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Apoptosis inducer 5d

CAT: 0013-GTR19196357-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196357-02Size:50 mg
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Description
Apoptosis inducer 5D is a novel small molecule that triggers programmed cell death in cancer cells. It is utilized in oncology research for studying apoptotic pathways in both in vitro cell culture and in vivo animal models of cancer.
CAS Number
60925-00-0
Field of Research
Cell Biology
Smiles
BrC1=CC=C (N2C (=CC (=N2) C=3C=CC=NC3) C4=CC=CC=C4) C=C1
Molecular Formula
C20H14BrN3
Molecular Weight
376.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Apoptosis inducer 5d
CAS Number60925-00-0
PubChem CID12282592
IUPAC Name3-[1-(4-bromophenyl)-5-phenylpyrazol-3-yl]pyridine
Molecular FormulaC20H14BrN3
Molecular Weight376.2
XLogP4.8
Topological Polar Surface Area30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity390
SMILES
C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)Br)C4=CN=CC=C4
InChI
InChI=1S/C20H14BrN3/c21-17-8-10-18(11-9-17)24-20(15-5-2-1-3-6-15)13-19(23-24)16-7-4-12-22-14-16/h1-14H
InChIKey
TZHWETVMXQTIER-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Apoptosis inducer 5d
CAS: 60925-00-0
CID: 12282592
Formula: C20H14BrN3
MW: 376.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight376.2
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass375.03711
Monoisotopic Mass375.03711
Topological Polar Surface Area30.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity390
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