S556-0005 Screening compound: 3-[4-(azetidin-3-yloxy)phenyl]-5-(methoxymethyl)-1,2,4-oxadiazole

S556-0005 Screening compound: 3-[4-(azetidin-3-yloxy)phenyl]-5-(methoxymethyl)-1,2,4-oxadiazole
S556-0005 Screening compound: 3-[4-(azetidin-3-yloxy)phenyl]-5-(methoxymethyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S556-0005
3-[4-(azetidin-3-yloxy)phenyl]-5-(methoxymethyl)-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

S556-0005

Molecular Formula

C13H15N3O3 (C13 H15 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

COCc1nc(-c(cc2)ccc2OC2CNC2)no1

InChI

InChI=1S/C13H15N3O3/c1-17-8-12-15-13(16-19-12)9-2-4-10(5-3-9)18-11-6-14-7-11/h2-5,11,14H,6-8H2,1H3

InChI Key

FGZUGACMMVNESI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28897686

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

261.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.484

Distribution Coefficient, logD

-2.031

Water Solubility, LogSw

-1.78

Polar Surface Area

58.613

Acid Dissociation Constant (pKa)

26.54

Base Dissociation Constant (pKb)

10.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

S556-0005 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S556-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S556-0005?
Check Price and Availability of S556-0005, 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 S556-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S556-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S556-0005
  • 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 S556-0005 available by request