S343-0090 Screening compound: methyl 3-{3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl}benzoate

S343-0090 Screening compound: methyl 3-{3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl}benzoate
S343-0090 Screening compound: methyl 3-{3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S343-0090
methyl 3-{3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl}benzoate

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

S343-0090

Molecular Formula

C20H16ClN3O4 (C20 H16 ClN3 O4)

Compound Name

methyl 3-{3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl}benzoate

IUPAC name

methyl 3-{3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-124-oxadiazol-5-yl}benzoate

SMILES

COC(c1cccc(-c2nc(C(CC3=O)CN3c(cc3)ccc3Cl)no2)c1)=O

InChI

InChI=1S/C20H16ClN3O4/c1-27-20(26)13-4-2-3-12(9-13)19-22-18(23-28-19)14-10-17(25)24(11-14)16-7-5-15(21)6-8-16/h2-9,14H,10-11H2,1H3/t14-/m1/s1

InChI Key

HWHZXWKREXPHLL-CQSZACIVSA-N

MDL Number (MFCD)

MFCD28998577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.82

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.988

Distribution Coefficient, logD

3.988

Water Solubility, LogSw

-4.47

Polar Surface Area

69.568

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

S343-0090 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with S343-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S343-0090?
Check Price and Availability of S343-0090, 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 S343-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S343-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S343-0090
  • 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 S343-0090 available by request