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VBIT-3

CAT: 0013-GTR19205346-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205346-01Size:25 mg
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Description
VBIT-3 is a small molecule inhibitor of VDAC1 oligomerization with a Kd of 31.3 μM. It functions as an apoptosis inhibitor and is a research tool for studying apoptosis-related pathologies, including neurodegenerative and cardiovascular diseases, in both cellular and animal models.
CAS Number
2088463-66-3
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C1C (CC (=O) N1C2=CC=C (Cl) C=C2) N3CCN (CC3) C4=CC=C (OC (F) (F) F) C=C4
Molecular Formula
C21H19ClF3N3O3
Molecular Weight
453.84
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(4-Chlorophenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
CAS Number2088463-66-3
PubChem CID126697702
IUPAC Name1-(4-chlorophenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
Molecular FormulaC21H19ClF3N3O3
Molecular Weight453.8
XLogP4.3
Topological Polar Surface Area53.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity656
SMILES
C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OC(F)(F)F
InChI
InChI=1S/C21H19ClF3N3O3/c22-14-1-3-16(4-2-14)28-19(29)13-18(20(28)30)27-11-9-26(10-12-27)15-5-7-17(8-6-15)31-21(23,24)25/h1-8,18H,9-13H2
InChIKey
RSUJVXBELMZOKK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Chlorophenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
CAS: 2088463-66-3
CID: 126697702
Formula: C21H19ClF3N3O3
MW: 453.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.8
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass453.1067037
Monoisotopic Mass453.1067037
Topological Polar Surface Area53.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity656
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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