S426-0022 Screening compound: {3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidino}(3-methylphenyl)methanone

S426-0022 Screening compound: {3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidino}(3-methylphenyl)methanone
S426-0022 Screening compound: {3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidino}(3-methylphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S426-0022
{3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidino}(3-methylphenyl)methanone

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

S426-0022

Molecular Formula

C17H21N3O3 (C17 H21 N3 O3)

Compound Name

{3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidino}(3-methylphenyl)methanone

IUPAC name

3-[5-(methoxymethyl)-124-oxadiazol-3-yl]-1-(3-methylbenzoyl)piperidine

SMILES

Cc1cccc(C(N(CCC2)CC2c2noc(COC)n2)=O)c1

InChI

InChI=1S/C17H21N3O3/c1-12-5-3-6-13(9-12)17(21)20-8-4-7-14(10-20)16-18-15(11-22-2)23-19-16/h3,5-6,9,14H,4,7-8,10-11H2,1-2H3/t14-/m0/s1

InChI Key

AGUKFLFNYVZACA-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD28994477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.079

Distribution Coefficient, logD

2.079

Water Solubility, LogSw

-2.42

Polar Surface Area

56.587

Acid Dissociation Constant (pKa)

26.96

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.06

S426-0022 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)

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
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S426-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S426-0022?
Check Price and Availability of S426-0022, 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 S426-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S426-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S426-0022
  • 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 S426-0022 available by request