S428-0301 Screening compound: 3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine

S428-0301 Screening compound: 3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine
S428-0301 Screening compound: 3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S428-0301
3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine

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

S428-0301

Molecular Formula

C12H19N3O2 (C12 H19 N3 O2)

Compound Name

3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine

IUPAC name

3-[3-(oxan-4-yl)-124-oxadiazol-5-yl]piperidine

SMILES

C(C1)CNCC1c1nc(C2CCOCC2)no1

InChI

InChI=1S/C12H19N3O2/c1-2-10(8-13-5-1)12-14-11(15-17-12)9-3-6-16-7-4-9/h9-10,13H,1-8H2/t10-/m0/s1

InChI Key

PCDLGYHEJNUIQS-JTQLQIEISA-N

MDL Number (MFCD)

MFCD20994927

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

237.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.024

Distribution Coefficient, logD

-2.235

Water Solubility, LogSw

-1.04

Polar Surface Area

51.829

Acid Dissociation Constant (pKa)

26.05

Base Dissociation Constant (pKb)

10.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

83.33

S428-0301 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

CNS MPO Library (28609 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Nervous system
  • Eye
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S428-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S428-0301?
Check Price and Availability of S428-0301, 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 S428-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S428-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S428-0301
  • 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 S428-0301 available by request