S050-0089 Screening compound: 5-(4-{[1-(2,5-difluorobenzoyl)azetidin-3-yl]oxy}phenyl)-3-methyl-1,2,4-oxadiazole

S050-0089 Screening compound: 5-(4-{[1-(2,5-difluorobenzoyl)azetidin-3-yl]oxy}phenyl)-3-methyl-1,2,4-oxadiazole
S050-0089 Screening compound: 5-(4-{[1-(2,5-difluorobenzoyl)azetidin-3-yl]oxy}phenyl)-3-methyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S050-0089
5-(4-{[1-(2,5-difluorobenzoyl)azetidin-3-yl]oxy}phenyl)-3-methyl-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

S050-0089

Molecular Formula

C19H15F2N3O3 (C19 H15 F2 N3 O3)

Compound Name

5-(4-{[1-(2,5-difluorobenzoyl)azetidin-3-yl]oxy}phenyl)-3-methyl-1,2,4-oxadiazole

IUPAC name

5-(4-{[1-(25-difluorobenzoyl)azetidin-3-yl]oxy}phenyl)-3-methyl-124-oxadiazole

SMILES

Cc1noc(-c(cc2)ccc2OC(C2)CN2C(c(cc(cc2)F)c2F)=O)n1

InChI

InChI=1S/C19H15F2N3O3/c1-11-22-18(27-23-11)12-2-5-14(6-3-12)26-15-9-24(10-15)19(25)16-8-13(20)4-7-17(16)21/h2-8,15H,9-10H2,1H3

InChI Key

HHAAYPBBPTYEDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.34

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

2.974

Distribution Coefficient, logD

2.974

Water Solubility, LogSw

-3.25

Polar Surface Area

54.636

Acid Dissociation Constant (pKa)

28.25

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

S050-0089 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 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)

Peptidomimetic Library (37031 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Eye
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S050-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S050-0089?
Check Price and Availability of S050-0089, 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 S050-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S050-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S050-0089
  • 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 S050-0089 available by request