S650-8483 Screening compound: 3-{4-[2-(4-fluorophenoxy)ethoxy]piperidine-1-carbonyl}-N,N-dimethylaniline

S650-8483 Screening compound: 3-{4-[2-(4-fluorophenoxy)ethoxy]piperidine-1-carbonyl}-N,N-dimethylaniline
S650-8483 Screening compound: 3-{4-[2-(4-fluorophenoxy)ethoxy]piperidine-1-carbonyl}-N,N-dimethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound S650-8483
3-{4-[2-(4-fluorophenoxy)ethoxy]piperidine-1-carbonyl}-N,N-dimethylaniline

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S650-8483

Molecular Formula

C22H27FN2O3 (C22 H27 FN2 O3)

Compound Name

3-{4-[2-(4-fluorophenoxy)ethoxy]piperidine-1-carbonyl}-N,N-dimethylaniline

IUPAC name

3-{4-[2-(4-fluorophenoxy)ethoxy]piperidine-1-carbonyl}-NN-dimethylaniline

SMILES

CN(C)c1cccc(C(N(CC2)CCC2OCCOc(cc2)ccc2F)=O)c1

InChI

InChI=1S/C22H27FN2O3/c1-24(2)19-5-3-4-17(16-19)22(26)25-12-10-21(11-13-25)28-15-14-27-20-8-6-18(23)7-9-20/h3-9,16,21H,10-15H2,1-2H3

InChI Key

WKEBCUBZIMJYIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29018590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.138

Distribution Coefficient, logD

3.138

Water Solubility, LogSw

-3.22

Polar Surface Area

33.769

Acid Dissociation Constant (pKa)

27.45

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

S650-8483 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S650-8483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S650-8483?
Check Price and Availability of S650-8483, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S650-8483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S650-8483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S650-8483
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S650-8483 available by request