S339-0613 Screening compound: 1-(4-{[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)-4-phenylbutan-1-one

S339-0613 Screening compound: 1-(4-{[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)-4-phenylbutan-1-one
S339-0613 Screening compound: 1-(4-{[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)-4-phenylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S339-0613
1-(4-{[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)-4-phenylbutan-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

S339-0613

Molecular Formula

C25H29N3O3 (C25 H29 N3 O3)

Compound Name

1-(4-{[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)-4-phenylbutan-1-one

IUPAC name

1-(4-{[3-(3-methoxyphenyl)-124-oxadiazol-5-yl]methyl}piperidin-1-yl)-4-phenylbutan-1-one

SMILES

COc1cccc(-c2noc(CC(CC3)CCN3C(CCCc3ccccc3)=O)n2)c1

InChI

InChI=1S/C25H29N3O3/c1-30-22-11-6-10-21(18-22)25-26-23(31-27-25)17-20-13-15-28(16-14-20)24(29)12-5-9-19-7-3-2-4-8-19/h2-4,6-8,10-11,18,20H,5,9,12-17H2,1H3

InChI Key

VSZPIQLDNPJLTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29001240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.649

Distribution Coefficient, logD

5.649

Water Solubility, LogSw

-5.57

Polar Surface Area

54.975

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

S339-0613 in Drug Discovery

Included in Screening Libraries

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

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:
  • Nervous system
  • Eye
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S339-0613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S339-0613?
Check Price and Availability of S339-0613, 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 S339-0613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S339-0613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S339-0613
  • 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 S339-0613 available by request