S339-0297 Screening compound: methyl 3-(4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)benzoate

S339-0297 Screening compound: methyl 3-(4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)benzoate
S339-0297 Screening compound: methyl 3-(4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S339-0297
methyl 3-(4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)benzoate

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

S339-0297

Molecular Formula

C24H25N3O5 (C24 H25 N3 O5)

Compound Name

methyl 3-(4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)benzoate

IUPAC name

methyl 3-(4-{[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)benzoate

SMILES

COC(c1cc(C(N2CCC(Cc3nc(-c(cc4)ccc4OC)no3)CC2)=O)ccc1)=O

InChI

InChI=1S/C24H25N3O5/c1-30-20-8-6-17(7-9-20)22-25-21(32-26-22)14-16-10-12-27(13-11-16)23(28)18-4-3-5-19(15-18)24(29)31-2/h3-9,15-16H,10-14H2,1-2H3

InChI Key

GFRANFXKLMEKDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28976317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.349

Distribution Coefficient, logD

4.349

Water Solubility, LogSw

-4.50

Polar Surface Area

76.676

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

S339-0297 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)

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:
  • 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
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S339-0297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S339-0297?
Check Price and Availability of S339-0297, 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 S339-0297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S339-0297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S339-0297
  • 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 S339-0297 available by request