S343-0170 Screening compound: 1-(3-chloro-4-fluorophenyl)-4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one

S343-0170 Screening compound: 1-(3-chloro-4-fluorophenyl)-4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
S343-0170 Screening compound: 1-(3-chloro-4-fluorophenyl)-4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S343-0170
1-(3-chloro-4-fluorophenyl)-4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-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

S343-0170

Molecular Formula

C22H21ClFN3O4 (C22 H21 ClFN3 O4)

Compound Name

1-(3-chloro-4-fluorophenyl)-4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one

IUPAC name

1-(3-chloro-4-fluorophenyl)-4-[5-(34-diethoxyphenyl)-124-oxadiazol-3-yl]pyrrolidin-2-one

SMILES

CCOc(ccc(-c1nc(C(CC2=O)CN2c(cc2)cc(Cl)c2F)no1)c1)c1OCC

InChI

InChI=1S/C22H21ClFN3O4/c1-3-29-18-8-5-13(9-19(18)30-4-2)22-25-21(26-31-22)14-10-20(28)27(12-14)15-6-7-17(24)16(23)11-15/h5-9,11,14H,3-4,10,12H2,1-2H3/t14-/m1/s1

InChI Key

RUJKHFALRMPXCP-CQSZACIVSA-N

MDL Number (MFCD)

MFCD28999008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.047

Distribution Coefficient, logD

4.047

Water Solubility, LogSw

-4.53

Polar Surface Area

62.815

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

-3.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

S343-0170 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Eye
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
  • GPCR
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S343-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S343-0170?
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What is the minimum amount of S343-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S343-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S343-0170
  • 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 S343-0170 available by request