S050-0051 Screening compound: 5-[4-({1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl}oxy)phenyl]-3-methyl-1,2,4-oxadiazole

S050-0051 Screening compound: 5-[4-({1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl}oxy)phenyl]-3-methyl-1,2,4-oxadiazole
S050-0051 Screening compound: 5-[4-({1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl}oxy)phenyl]-3-methyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S050-0051
5-[4-({1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]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

S050-0051

Molecular Formula

C17H18N4O5S (C17 H18 N4 O5 S)

Compound Name

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

IUPAC name

5-[4-({1-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]azetidin-3-yl}oxy)phenyl]-3-methyl-124-oxadiazole

SMILES

Cc1noc(C)c1S(N(C1)CC1Oc(cc1)ccc1-c1nc(C)no1)(=O)=O

InChI

InChI=1S/C17H18N4O5S/c1-10-16(11(2)25-19-10)27(22,23)21-8-15(9-21)24-14-6-4-13(5-7-14)17-18-12(3)20-26-17/h4-7,15H,8-9H2,1-3H3

InChI Key

JRXXCJKBLVNKFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.450

Distribution Coefficient, logD

1.450

Water Solubility, LogSw

-2.28

Polar Surface Area

91.737

Acid Dissociation Constant (pKa)

27.24

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

S050-0051 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

Bromodomain Modulators Library (5801 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)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S050-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S050-0051?
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What is the minimum amount of S050-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S050-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S050-0051
  • 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 S050-0051 available by request