S296-4850 Screening compound: 5-(3,4-difluorobenzenesulfonyl)-2-[1-(thiophen-2-yl)propyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione

S296-4850 Screening compound: 5-(3,4-difluorobenzenesulfonyl)-2-[1-(thiophen-2-yl)propyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione
S296-4850 Screening compound: 5-(3,4-difluorobenzenesulfonyl)-2-[1-(thiophen-2-yl)propyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S296-4850
5-(3,4-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

S296-4850

Molecular Formula

C19H18F2N2O4S2 (C19 H18 F2 N2 O4 S2)

Compound Name

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

IUPAC name

(3aR6aS)-5-(34-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(cc1)cc(F)c1F)(=O)=O)=O)C2=O

InChI

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

InChI Key

BIMRSCAGKUDQOX-OCZCAGDBSA-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

2.637

Distribution Coefficient, logD

2.637

Water Solubility, LogSw

-2.98

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

S296-4850 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 S296-4850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S296-4850?
Check Price and Availability of S296-4850, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S296-4850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S296-4850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S296-4850
  • 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 S296-4850 available by request