S069-4586 Screening compound: 1-(2-oxo-2-{3-[5-(pyrazin-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl}ethyl)pyrrolidine-2,5-dione

S069-4586 Screening compound: 1-(2-oxo-2-{3-[5-(pyrazin-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl}ethyl)pyrrolidine-2,5-dione
S069-4586 Screening compound: 1-(2-oxo-2-{3-[5-(pyrazin-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl}ethyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S069-4586
1-(2-oxo-2-{3-[5-(pyrazin-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl}ethyl)pyrrolidine-2,5-dione

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

S069-4586

Molecular Formula

C16H16N6O4 (C16 H16 N6 O4)

Compound Name

1-(2-oxo-2-{3-[5-(pyrazin-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl}ethyl)pyrrolidine-2,5-dione

IUPAC name

1-(2-oxo-2-{3-[5-(pyrazin-2-yl)-124-oxadiazol-3-yl]pyrrolidin-1-yl}ethyl)pyrrolidine-25-dione

SMILES

O=C(CN(C(CC1)=O)C1=O)N(CC1)CC1c1noc(-c2nccnc2)n1

InChI

InChI=1S/C16H16N6O4/c23-12-1-2-13(24)22(12)9-14(25)21-6-3-10(8-21)15-19-16(26-20-15)11-7-17-4-5-18-11/h4-5,7,10H,1-3,6,8-9H2/t10-/m1/s1

InChI Key

IXIULJIMGNKETI-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD29007542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.34

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-1.191

Distribution Coefficient, logD

-1.191

Water Solubility, LogSw

-0.73

Polar Surface Area

96.982

Acid Dissociation Constant (pKa)

19.84

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

S069-4586 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

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

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with S069-4586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S069-4586?
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What is the minimum amount of S069-4586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S069-4586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S069-4586
  • 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 S069-4586 available by request