S296-0737 Screening compound: (3aR,6aS)-2-(2-methoxyethyl)-5-(3-methylbenzyl)tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione

S296-0737 Screening compound: (3aR,6aS)-2-(2-methoxyethyl)-5-(3-methylbenzyl)tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
S296-0737 Screening compound: (3aR,6aS)-2-(2-methoxyethyl)-5-(3-methylbenzyl)tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S296-0737
(3aR,6aS)-2-(2-methoxyethyl)-5-(3-methylbenzyl)tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-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

S296-0737

Molecular Formula

C17H22N2O3 (C17 H22 N2 O3)

Compound Name

(3aR,6aS)-2-(2-methoxyethyl)-5-(3-methylbenzyl)tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione

IUPAC name

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

SMILES

Cc1cccc(CN(C[C@H]2C(N3CCOC)=O)C[C@@H]2C3=O)c1

InChI

InChI=1S/C17H22N2O3/c1-12-4-3-5-13(8-12)9-18-10-14-15(11-18)17(21)19(16(14)20)6-7-22-2/h3-5,8,14-15H,6-7,9-11H2,1-2H3/t14-,15-/m0/s1

InChI Key

ZICPHCUBTZCGIH-GJZGRUSLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.109

Distribution Coefficient, logD

-0.544

Water Solubility, LogSw

-2.23

Polar Surface Area

42.049

Acid Dissociation Constant (pKa)

18.93

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.94

S296-0737 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)

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

References: we are preparing a list of scientific research reports with S296-0737 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S296-0737?
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What is the minimum amount of S296-0737 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S296-0737
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S296-0737
  • 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 S296-0737 available by request