S339-1013 Screening compound: 2-(5-{[1-(4-ethoxybenzoyl)piperidin-4-yl]methyl}-1,2,4-oxadiazol-3-yl)pyrazine

S339-1013 Screening compound: 2-(5-{[1-(4-ethoxybenzoyl)piperidin-4-yl]methyl}-1,2,4-oxadiazol-3-yl)pyrazine
S339-1013 Screening compound: 2-(5-{[1-(4-ethoxybenzoyl)piperidin-4-yl]methyl}-1,2,4-oxadiazol-3-yl)pyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound S339-1013
2-(5-{[1-(4-ethoxybenzoyl)piperidin-4-yl]methyl}-1,2,4-oxadiazol-3-yl)pyrazine

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

S339-1013

Molecular Formula

C21H23N5O3 (C21 H23 N5 O3)

Compound Name

2-(5-{[1-(4-ethoxybenzoyl)piperidin-4-yl]methyl}-1,2,4-oxadiazol-3-yl)pyrazine

IUPAC name

2-(5-{[1-(4-ethoxybenzoyl)piperidin-4-yl]methyl}-124-oxadiazol-3-yl)pyrazine

SMILES

CCOc(cc1)ccc1C(N1CCC(Cc2nc(-c3nccnc3)no2)CC1)=O

InChI

InChI=1S/C21H23N5O3/c1-2-28-17-5-3-16(4-6-17)21(27)26-11-7-15(8-12-26)13-19-24-20(25-29-19)18-14-22-9-10-23-18/h3-6,9-10,14-15H,2,7-8,11-13H2,1H3

InChI Key

NVGOGGRTYOBZEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.648

Distribution Coefficient, logD

2.648

Water Solubility, LogSw

-2.42

Polar Surface Area

73.647

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

S339-1013 in Drug Discovery

Included in Screening Libraries

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)

Beyond the Flatland Library sp3 enriched (92988 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
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S339-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S339-1013?
Check Price and Availability of S339-1013, 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 S339-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S339-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S339-1013
  • 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 S339-1013 available by request