S296-4470 Screening compound: 5-[(3-ethoxyphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione

S296-4470 Screening compound: 5-[(3-ethoxyphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione
S296-4470 Screening compound: 5-[(3-ethoxyphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S296-4470
5-[(3-ethoxyphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-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

S296-4470

Molecular Formula

C22H29N3O4 (C22 H29 N3 O4)

Compound Name

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

IUPAC name

(3aR6aS)-5-[(3-ethoxyphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]-octahydropyrrolo[34-c]pyrrole-13-dione

SMILES

CCOc1cccc(CN(C[C@H]2C(N3CCCN(CCC4)C4=O)=O)C[C@@H]2C3=O)c1

InChI

InChI=1S/C22H29N3O4/c1-2-29-17-7-3-6-16(12-17)13-23-14-18-19(15-23)22(28)25(21(18)27)11-5-10-24-9-4-8-20(24)26/h3,6-7,12,18-19H,2,4-5,8-11,13-15H2,1H3/t18-,19-/m0/s1

InChI Key

FCQORXPUSSTHNU-OALUTQOASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

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

0.492

Distribution Coefficient, logD

-2.287

Water Solubility, LogSw

-1.91

Polar Surface Area

58.071

Acid Dissociation Constant (pKa)

16.88

Base Dissociation Constant (pKb)

10.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

59.10

S296-4470 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 S296-4470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S296-4470?
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What is the minimum amount of S296-4470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S296-4470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S296-4470
  • 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 S296-4470 available by request