S296-4429 Screening compound: 2-[3-(2-oxopyrrolidin-1-yl)propyl]-5-{[4-(propan-2-yloxy)phenyl]methyl}-octahydropyrrolo[3,4-c]pyrrole-1,3-dione

S296-4429 Screening compound: 2-[3-(2-oxopyrrolidin-1-yl)propyl]-5-{[4-(propan-2-yloxy)phenyl]methyl}-octahydropyrrolo[3,4-c]pyrrole-1,3-dione
S296-4429 Screening compound: 2-[3-(2-oxopyrrolidin-1-yl)propyl]-5-{[4-(propan-2-yloxy)phenyl]methyl}-octahydropyrrolo[3,4-c]pyrrole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S296-4429
2-[3-(2-oxopyrrolidin-1-yl)propyl]-5-{[4-(propan-2-yloxy)phenyl]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

S296-4429

Molecular Formula

C23H31N3O4 (C23 H31 N3 O4)

Compound Name

2-[3-(2-oxopyrrolidin-1-yl)propyl]-5-{[4-(propan-2-yloxy)phenyl]methyl}-octahydropyrrolo[3,4-c]pyrrole-1,3-dione

IUPAC name

(3aR6aS)-2-[3-(2-oxopyrrolidin-1-yl)propyl]-5-{[4-(propan-2-yloxy)phenyl]methyl}-octahydropyrrolo[34-c]pyrrole-13-dione

SMILES

CC(C)Oc1ccc(CN(C[C@H]2C(N3CCCN(CCC4)C4=O)=O)C[C@@H]2C3=O)cc1

InChI

InChI=1S/C23H31N3O4/c1-16(2)30-18-8-6-17(7-9-18)13-24-14-19-20(15-24)23(29)26(22(19)28)12-4-11-25-10-3-5-21(25)27/h6-9,16,19-20H,3-5,10-15H2,1-2H3/t19-,20-/m0/s1

InChI Key

OXAVPSGBOCVGOS-PMACEKPBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.716

Distribution Coefficient, logD

-0.390

Water Solubility, LogSw

-1.92

Polar Surface Area

57.750

Acid Dissociation Constant (pKa)

16.88

Base Dissociation Constant (pKb)

8.47

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.90

S296-4429 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 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)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous 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

References: we are preparing a list of scientific research reports with S296-4429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S296-4429?
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What is the minimum amount of S296-4429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S296-4429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S296-4429
  • 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 S296-4429 available by request