S339-0439 Screening compound: 1-{4-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidino}-3-(2-methoxyphenyl)-1-propanone

S339-0439 Screening compound: 1-{4-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidino}-3-(2-methoxyphenyl)-1-propanone
S339-0439 Screening compound: 1-{4-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidino}-3-(2-methoxyphenyl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S339-0439
1-{4-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidino}-3-(2-methoxyphenyl)-1-propanone

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

S339-0439

Molecular Formula

C21H29N3O3 (C21 H29 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1noc(CC(CC2)CCN2C(CCc(cccc2)c2OC)=O)n1

InChI

InChI=1S/C21H29N3O3/c1-15(2)21-22-19(27-23-21)14-16-10-12-24(13-11-16)20(25)9-8-17-6-4-5-7-18(17)26-3/h4-7,15-16H,8-14H2,1-3H3

InChI Key

ZUDKPLYEWAMRLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.058

Distribution Coefficient, logD

4.058

Water Solubility, LogSw

-4.27

Polar Surface Area

55.333

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.14

S339-0439 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)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Ion Channels
  • Others
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 S339-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S339-0439?
Check Price and Availability of S339-0439, 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 S339-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S339-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S339-0439
  • 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 S339-0439 available by request