S723-2605 Screening compound: 4-({4-[(3-fluorophenoxy)methyl]phenyl}methyl)-1-(oxane-4-carbonyl)piperidine

S723-2605 Screening compound: 4-({4-[(3-fluorophenoxy)methyl]phenyl}methyl)-1-(oxane-4-carbonyl)piperidine
S723-2605 Screening compound: 4-({4-[(3-fluorophenoxy)methyl]phenyl}methyl)-1-(oxane-4-carbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S723-2605
4-({4-[(3-fluorophenoxy)methyl]phenyl}methyl)-1-(oxane-4-carbonyl)piperidine

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

S723-2605

Molecular Formula

C25H30FNO3 (C25 H30 FNO3)

Compound Name

4-({4-[(3-fluorophenoxy)methyl]phenyl}methyl)-1-(oxane-4-carbonyl)piperidine

IUPAC name

4-({4-[(3-fluorophenoxy)methyl]phenyl}methyl)-1-(oxane-4-carbonyl)piperidine

SMILES

O=C(C1CCOCC1)N1CCC(Cc2ccc(COc3cccc(F)c3)cc2)CC1

InChI

InChI=1S/C25H30FNO3/c26-23-2-1-3-24(17-23)30-18-21-6-4-19(5-7-21)16-20-8-12-27(13-9-20)25(28)22-10-14-29-15-11-22/h1-7,17,20,22H,8-16,18H2

InChI Key

NZODCBMOOZJZCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32226637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.875

Distribution Coefficient, logD

4.875

Water Solubility, LogSw

-5.06

Polar Surface Area

31.943

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

S723-2605 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S723-2605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S723-2605?
Check Price and Availability of S723-2605, 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 S723-2605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S723-2605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S723-2605
  • 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 S723-2605 available by request