S296-1963 Screening compound: 5-[(5-bromothiophen-2-yl)methyl]-2-methyl-octahydropyrrolo[3,4-c]pyrrole-1,3-dione

S296-1963 Screening compound: 5-[(5-bromothiophen-2-yl)methyl]-2-methyl-octahydropyrrolo[3,4-c]pyrrole-1,3-dione
S296-1963 Screening compound: 5-[(5-bromothiophen-2-yl)methyl]-2-methyl-octahydropyrrolo[3,4-c]pyrrole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S296-1963
5-[(5-bromothiophen-2-yl)methyl]-2-methyl-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

S296-1963

Molecular Formula

C12H13BrN2O2S (C12 H13 BrN2 O2 S)

Compound Name

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

IUPAC name

(3aR6aS)-5-[(5-bromothiophen-2-yl)methyl]-2-methyl-octahydropyrrolo[34-c]pyrrole-13-dione

SMILES

CN(C([C@H]1[C@@H]2CN(Cc(s3)ccc3Br)C1)=O)C2=O

InChI

InChI=1S/C12H13BrN2O2S/c1-14-11(16)8-5-15(6-9(8)12(14)17)4-7-2-3-10(13)18-7/h2-3,8-9H,4-6H2,1H3/t8-,9+

InChI Key

SEMFPYXVJKQDFH-DTORHVGOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.005

Distribution Coefficient, logD

0.407

Water Solubility, LogSw

-2.42

Polar Surface Area

34.512

Acid Dissociation Constant (pKa)

18.35

Base Dissociation Constant (pKb)

7.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S296-1963 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 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)

New Agro Library (44492 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S296-1963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S296-1963?
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What is the minimum amount of S296-1963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S296-1963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S296-1963
  • 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 S296-1963 available by request