S296-4870 Screening compound: 5-(2,5-difluorobenzenesulfonyl)-2-[1-(thiophen-2-yl)propyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione

S296-4870 Screening compound: 5-(2,5-difluorobenzenesulfonyl)-2-[1-(thiophen-2-yl)propyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione
S296-4870 Screening compound: 5-(2,5-difluorobenzenesulfonyl)-2-[1-(thiophen-2-yl)propyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S296-4870
5-(2,5-difluorobenzenesulfonyl)-2-[1-(thiophen-2-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

S296-4870

Molecular Formula

C19H18F2N2O4S2 (C19 H18 F2 N2 O4 S2)

Compound Name

5-(2,5-difluorobenzenesulfonyl)-2-[1-(thiophen-2-yl)propyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione

IUPAC name

(3aR6aS)-5-(25-difluorobenzenesulfonyl)-2-[1-(thiophen-2-yl)propyl]-octahydropyrrolo[34-c]pyrrole-13-dione

SMILES

CCC(c1cccs1)N(C([C@H](C1)[C@@H]2CN1S(c(cc(cc1)F)c1F)(=O)=O)=O)C2=O

InChI

InChI=1S/C19H18F2N2O4S2/c1-2-15(16-4-3-7-28-16)23-18(24)12-9-22(10-13(12)19(23)25)29(26,27)17-8-11(20)5-6-14(17)21/h3-8,12-13,15H,2,9-10H2,1H3/t12-,13+,15?

InChI Key

BFIDUHHKUCLWOW-NNQSOWQGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.355

Distribution Coefficient, logD

2.355

Water Solubility, LogSw

-2.80

Polar Surface Area

61.379

Acid Dissociation Constant (pKa)

19.22

Base Dissociation Constant (pKb)

-4.69

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

36.80

S296-4870 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 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)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S296-4870 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S296-4870?
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What is the minimum amount of S296-4870 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S296-4870
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S296-4870
  • 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 S296-4870 available by request