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VBIT-12

CAT: 1568-C13798-100mgSize: 100 mgDry Ice: NoHazardous: No
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CAT#:1568-C13798-100mgSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2089227-65-4
Target
VDAC
Applications
Transmembrane Transporters
Smiles
C1CN (CCC1 (C (=O) NCC (=O) O) NC2=CC=CC=C2) CC3=CC=CC4=CC=CC=C43
Molecular Formula
C25H27N3O3
Additionnal Information
VBIT-12 is a potent inhibitor of Voltage-dependent anion-selective channel 1 (VDAC1), directly interacting with purified VDAC1, reducing its channel conductance and preventing VDAC1 oligomerization.
Storage Conditions
3 years -20°C powder

Chemical Information

N-[[1-(1-naphthalenylmethyl)-4-(phenylamino)-4-piperidinyl]carbonyl]-glycine
CAS Number2089227-65-4
PubChem CID134347604
IUPAC Name2-[[4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carbonyl]amino]acetic acid
Molecular FormulaC25H27N3O3
Molecular Weight417.5
XLogP1.7
Topological Polar Surface Area81.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity611
SMILES
C1CN(CCC1(C(=O)NCC(=O)O)NC2=CC=CC=C2)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C25H27N3O3/c29-23(30)17-26-24(31)25(27-21-10-2-1-3-11-21)13-15-28(16-14-25)18-20-9-6-8-19-7-4-5-12-22(19)20/h1-12,27H,13-18H2,(H,26,31)(H,29,30)
InChIKey
JZDHWOWCHGYSGA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[[1-(1-naphthalenylmethyl)-4-(phenylamino)-4-piperidinyl]carbonyl]-glycine
CAS: 2089227-65-4
CID: 134347604
Formula: C25H27N3O3
MW: 417.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.5
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass417.20524173
Monoisotopic Mass417.20524173
Topological Polar Surface Area81.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity611
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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