S339-0425 Screening compound: 1-{4-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidino}-2-(4-methylphenyl)-1-ethanone

S339-0425 Screening compound: 1-{4-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidino}-2-(4-methylphenyl)-1-ethanone
S339-0425 Screening compound: 1-{4-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidino}-2-(4-methylphenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S339-0425
1-{4-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidino}-2-(4-methylphenyl)-1-ethanone

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

S339-0425

Molecular Formula

C20H27N3O2 (C20 H27 N3 O2)

Compound Name

1-{4-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidino}-2-(4-methylphenyl)-1-ethanone

IUPAC name

2-(4-methylphenyl)-1-(4-{[3-(propan-2-yl)-124-oxadiazol-5-yl]methyl}piperidin-1-yl)ethan-1-one

SMILES

CC(C)c1noc(CC(CC2)CCN2C(Cc2ccc(C)cc2)=O)n1

InChI

InChI=1S/C20H27N3O2/c1-14(2)20-21-18(25-22-20)12-17-8-10-23(11-9-17)19(24)13-16-6-4-15(3)5-7-16/h4-7,14,17H,8-13H2,1-3H3

InChI Key

STAXRASYYAINLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.184

Distribution Coefficient, logD

4.184

Water Solubility, LogSw

-4.20

Polar Surface Area

47.702

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

S339-0425 in Drug Discovery

Included in Screening Libraries

Ligand-Gated Ion Channels Library (3887 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MEF2-HDAC (class II) Modulators Library (5147 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
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S339-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S339-0425?
Check Price and Availability of S339-0425, 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 S339-0425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S339-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S339-0425
  • 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 S339-0425 available by request