S296-4082 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(3,4-dimethoxyphenyl)methyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione

S296-4082 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(3,4-dimethoxyphenyl)methyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione
S296-4082 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(3,4-dimethoxyphenyl)methyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S296-4082
2-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(3,4-dimethoxyphenyl)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

S296-4082

Molecular Formula

C23H24N2O6 (C23 H24 N2 O6)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(CN(C[C@H]1C(N2Cc(cc3)cc4c3OCO4)=O)C[C@@H]1C2=O)c1)c1OC

InChI

InChI=1S/C23H24N2O6/c1-28-18-5-3-14(7-20(18)29-2)9-24-11-16-17(12-24)23(27)25(22(16)26)10-15-4-6-19-21(8-15)31-13-30-19/h3-8,16-17H,9-13H2,1-2H3/t16-,17-/m0/s1

InChI Key

XXTGQYURAMGWKW-IRXDYDNUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.685

Distribution Coefficient, logD

-0.784

Water Solubility, LogSw

-2.49

Polar Surface Area

65.833

Acid Dissociation Constant (pKa)

18.35

Base Dissociation Constant (pKb)

9.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.10

S296-4082 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Lipid Metabolism Library (9174 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 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)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S296-4082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S296-4082?
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What is the minimum amount of S296-4082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S296-4082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S296-4082
  • 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 S296-4082 available by request