S069-4463 Screening compound: 3,3-dimethyl-5-({3-[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]-1-pyrrolidinyl}sulfonyl)-1,3-dihydro-2H-indol-2-one

S069-4463 Screening compound: 3,3-dimethyl-5-({3-[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]-1-pyrrolidinyl}sulfonyl)-1,3-dihydro-2H-indol-2-one
S069-4463 Screening compound: 3,3-dimethyl-5-({3-[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]-1-pyrrolidinyl}sulfonyl)-1,3-dihydro-2H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S069-4463
3,3-dimethyl-5-({3-[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]-1-pyrrolidinyl}sulfonyl)-1,3-dihydro-2H-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

S069-4463

Molecular Formula

C21H21N5O4S (C21 H21 N5 O4 S)

Compound Name

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

IUPAC name

n/a

SMILES

CC(C)(c(cc(cc1)S(N(CC2)CC2c2noc(-c3ccncc3)n2)(=O)=O)c1N1)C1=O

InChI

InChI=1S/C21H21N5O4S/c1-21(2)16-11-15(3-4-17(16)23-20(21)27)31(28,29)26-10-7-14(12-26)18-24-19(30-25-18)13-5-8-22-9-6-13/h3-6,8-9,11,14H,7,10,12H2,1-2H3,(H,23,27)/t14-/m1/s1

InChI Key

SWNMXQVQNXGPNG-CQSZACIVSA-N

MDL Number (MFCD)

MFCD29011651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.637

Distribution Coefficient, logD

2.636

Water Solubility, LogSw

-3.17

Polar Surface Area

98.326

Acid Dissociation Constant (pKa)

10.86

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

S069-4463 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Indole Derivatives (10091 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)

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
  • Antiviral
  • Infections
  • Immune system
  • 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 S069-4463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S069-4463?
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What is the minimum amount of S069-4463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S069-4463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S069-4463
  • 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 S069-4463 available by request