S069-3854 Screening compound: 3,3-dimethyl-5-{[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-2-one

S069-3854 Screening compound: 3,3-dimethyl-5-{[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-2-one
S069-3854 Screening compound: 3,3-dimethyl-5-{[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S069-3854
3,3-dimethyl-5-{[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-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

S069-3854

Molecular Formula

C22H22N4O4S (C22 H22 N4 O4 S)

Compound Name

3,3-dimethyl-5-{[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-2-one

IUPAC name

33-dimethyl-5-{[3-(5-phenyl-124-oxadiazol-3-yl)pyrrolidin-1-yl]sulfonyl}-23-dihydro-1H-indol-2-one

SMILES

CC(C)(c(cc(cc1)S(N(CC2)CC2c2noc(-c3ccccc3)n2)(=O)=O)c1N1)C1=O

InChI

InChI=1S/C22H22N4O4S/c1-22(2)17-12-16(8-9-18(17)23-21(22)27)31(28,29)26-11-10-15(13-26)19-24-20(30-25-19)14-6-4-3-5-7-14/h3-9,12,15H,10-11,13H2,1-2H3,(H,23,27)/t15-/m1/s1

InChI Key

RZCTWCWWQXWQBF-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD29007045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.781

Distribution Coefficient, logD

3.781

Water Solubility, LogSw

-3.88

Polar Surface Area

88.898

Acid Dissociation Constant (pKa)

10.86

Base Dissociation Constant (pKb)

-2.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

S069-3854 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Indole Derivatives (10091 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S069-3854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S069-3854?
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What is the minimum amount of S069-3854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S069-3854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S069-3854
  • 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 S069-3854 available by request