S556-0002 Screening compound: 3-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-1,2,4-oxadiazole

S556-0002 Screening compound: 3-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-1,2,4-oxadiazole
S556-0002 Screening compound: 3-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S556-0002
3-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-1,2,4-oxadiazole

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

S556-0002

Molecular Formula

C14H15N3O2 (C14 H15 N3 O2)

Compound Name

3-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-1,2,4-oxadiazole

IUPAC name

3-[4-(azetidin-3-yloxy)phenyl]-5-cyclopropyl-124-oxadiazole

SMILES

C(C1)C1c1nc(-c(cc2)ccc2OC2CNC2)no1

InChI

InChI=1S/C14H15N3O2/c1-2-10(1)14-16-13(17-19-14)9-3-5-11(6-4-9)18-12-7-15-8-12/h3-6,10,12,15H,1-2,7-8H2

InChI Key

JRPVWSJZAFOYLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28897683

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

257.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.769

Distribution Coefficient, logD

-0.746

Water Solubility, LogSw

-3.03

Polar Surface Area

50.775

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

10.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

S556-0002 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS MPO Library (28609 compounds)

Cardiovascular Library (22201 compounds)

GABA Library (7115 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Eye
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with S556-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S556-0002?
Check Price and Availability of S556-0002, 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 S556-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S556-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S556-0002
  • 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 S556-0002 available by request