S339-0157 Screening compound: 2-(3,4-diethoxyphenyl)-1-(4-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)ethan-1-one

S339-0157 Screening compound: 2-(3,4-diethoxyphenyl)-1-(4-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)ethan-1-one
S339-0157 Screening compound: 2-(3,4-diethoxyphenyl)-1-(4-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S339-0157
2-(3,4-diethoxyphenyl)-1-(4-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)ethan-1-one

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

S339-0157

Molecular Formula

C26H30FN3O4 (C26 H30 FN3 O4)

Compound Name

2-(3,4-diethoxyphenyl)-1-(4-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)ethan-1-one

IUPAC name

2-(34-diethoxyphenyl)-1-(4-{[3-(4-fluorophenyl)-124-oxadiazol-5-yl]methyl}piperidin-1-yl)ethan-1-one

SMILES

CCOc(ccc(CC(N1CCC(Cc2nc(-c(cc3)ccc3F)no2)CC1)=O)c1)c1OCC

InChI

InChI=1S/C26H30FN3O4/c1-3-32-22-10-5-19(15-23(22)33-4-2)17-25(31)30-13-11-18(12-14-30)16-24-28-26(29-34-24)20-6-8-21(27)9-7-20/h5-10,15,18H,3-4,11-14,16-17H2,1-2H3

InChI Key

NSKAHLZVUQMGGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.837

Distribution Coefficient, logD

4.837

Water Solubility, LogSw

-4.74

Polar Surface Area

61.851

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

S339-0157 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Eye
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S339-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S339-0157?
Check Price and Availability of S339-0157, 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 S339-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S339-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S339-0157
  • 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 S339-0157 available by request