S296-4329 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(4-bromophenyl)methyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione

S296-4329 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(4-bromophenyl)methyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione
S296-4329 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(4-bromophenyl)methyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S296-4329
2-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(4-bromophenyl)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

S296-4329

Molecular Formula

C21H19BrN2O4 (C21 H19 BrN2 O4)

Compound Name

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

IUPAC name

(3aR6aS)-2-[(2H-13-benzodioxol-5-yl)methyl]-5-[(4-bromophenyl)methyl]-octahydropyrrolo[34-c]pyrrole-13-dione

SMILES

O=C([C@H]1[C@@H]2CN(Cc(cc3)ccc3Br)C1)N(Cc(cc1)cc3c1OCO3)C2=O

InChI

InChI=1S/C21H19BrN2O4/c22-15-4-1-13(2-5-15)8-23-10-16-17(11-23)21(26)24(20(16)25)9-14-3-6-18-19(7-14)28-12-27-18/h1-7,16-17H,8-12H2/t16-,17+

InChI Key

QJUFXCIRYJWJNF-CALCHBBNSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.946

Distribution Coefficient, logD

2.065

Water Solubility, LogSw

-3.14

Polar Surface Area

50.572

Acid Dissociation Constant (pKa)

18.35

Base Dissociation Constant (pKb)

8.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

S296-4329 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

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

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S296-4329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S296-4329?
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What is the minimum amount of S296-4329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S296-4329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S296-4329
  • 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 S296-4329 available by request