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VBIT-3

CAT: 0931-T13286-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T13286-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2088463-66-3
Target
Others, VDAC
Related Pathways
Others, Membrane transporter/Ion channel
Bioactivity
VBIT-3 is a voltage-dependent anion channel 1 (VDAC1) oligomerization inhibitor (Kd: 31.3 μM) . VBIT-3 also is an apoptosis inhibitor, can be used for therapeutic purposes in apoptosis-associated disorders (such as neurodegenerative and cardiovascular diseases) .
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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Alternative Products

CatalogName
GTR19205346-01VBIT-3
HY-129122-01VBIT-4
C13798-10mM/1mLVBIT-12

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