S050-0163 Screening compound: 2-cyclopentyl-1-{3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl}ethan-1-one

S050-0163 Screening compound: 2-cyclopentyl-1-{3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl}ethan-1-one
S050-0163 Screening compound: 2-cyclopentyl-1-{3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S050-0163
2-cyclopentyl-1-{3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl}ethan-1-one

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

S050-0163

Molecular Formula

C19H23N3O3 (C19 H23 N3 O3)

Compound Name

2-cyclopentyl-1-{3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl}ethan-1-one

IUPAC name

2-cyclopentyl-1-{3-[4-(3-methyl-124-oxadiazol-5-yl)phenoxy]azetidin-1-yl}ethan-1-one

SMILES

Cc1noc(-c(cc2)ccc2OC(C2)CN2C(CC2CCCC2)=O)n1

InChI

InChI=1S/C19H23N3O3/c1-13-20-19(25-21-13)15-6-8-16(9-7-15)24-17-11-22(12-17)18(23)10-14-4-2-3-5-14/h6-9,14,17H,2-5,10-12H2,1H3

InChI Key

GHTKDYFZKXCOFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.878

Distribution Coefficient, logD

2.878

Water Solubility, LogSw

-3.12

Polar Surface Area

54.667

Acid Dissociation Constant (pKa)

23.65

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

S050-0163 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 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
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
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 S050-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S050-0163?
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What is the minimum amount of S050-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S050-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S050-0163
  • 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 S050-0163 available by request