S296-4727 Screening compound: 5-[(3,4-difluorophenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione

S296-4727 Screening compound: 5-[(3,4-difluorophenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione
S296-4727 Screening compound: 5-[(3,4-difluorophenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S296-4727
5-[(3,4-difluorophenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-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

S296-4727

Molecular Formula

C20H23F2N3O3 (C20 H23 F2 N3 O3)

Compound Name

5-[(3,4-difluorophenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione

IUPAC name

(3aR6aS)-5-[(34-difluorophenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]-octahydropyrrolo[34-c]pyrrole-13-dione

SMILES

O=C1N(CCCN(C([C@H]2[C@@H]3CN(Cc(cc4)cc(F)c4F)C2)=O)C3=O)CCC1

InChI

InChI=1S/C20H23F2N3O3/c21-16-5-4-13(9-17(16)22)10-23-11-14-15(12-23)20(28)25(19(14)27)8-2-7-24-6-1-3-18(24)26/h4-5,9,14-15H,1-3,6-8,10-12H2/t14-,15+

InChI Key

UYOMIWXYHHPJKO-GASCZTMLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.275

Distribution Coefficient, logD

-0.482

Water Solubility, LogSw

-1.89

Polar Surface Area

50.947

Acid Dissociation Constant (pKa)

16.88

Base Dissociation Constant (pKb)

8.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.00

S296-4727 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

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

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S296-4727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S296-4727?
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What is the minimum amount of S296-4727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S296-4727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S296-4727
  • 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 S296-4727 available by request