S296-2527 Screening compound: (3aR,6aS)-5-(3-chlorobenzyl)-2-{2-[3,4-dihydro-2(1H)-isoquinolinyl]ethyl}tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione

S296-2527 Screening compound: (3aR,6aS)-5-(3-chlorobenzyl)-2-{2-[3,4-dihydro-2(1H)-isoquinolinyl]ethyl}tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
S296-2527 Screening compound: (3aR,6aS)-5-(3-chlorobenzyl)-2-{2-[3,4-dihydro-2(1H)-isoquinolinyl]ethyl}tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S296-2527
(3aR,6aS)-5-(3-chlorobenzyl)-2-{2-[3,4-dihydro-2(1H)-isoquinolinyl]ethyl}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

S296-2527

Molecular Formula

C24H26ClN3O2 (C24 H26 ClN3 O2)

Compound Name

(3aR,6aS)-5-(3-chlorobenzyl)-2-{2-[3,4-dihydro-2(1H)-isoquinolinyl]ethyl}tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione

IUPAC name

(3aR6aS)-5-[(3-chlorophenyl)methyl]-2-[2-(1234-tetrahydroisoquinolin-2-yl)ethyl]-octahydropyrrolo[34-c]pyrrole-13-dione

SMILES

O=C([C@H]1[C@@H]2CN(Cc3cccc(Cl)c3)C1)N(CCN(CC1)Cc3c1cccc3)C2=O

InChI

InChI=1S/C24H26ClN3O2/c25-20-7-3-4-17(12-20)13-27-15-21-22(16-27)24(30)28(23(21)29)11-10-26-9-8-18-5-1-2-6-19(18)14-26/h1-7,12,21-22H,8-11,13-16H2/t21-,22+

InChI Key

LPVRQFJFPCNHNK-SZPZYZBQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.94

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

2.926

Distribution Coefficient, logD

1.918

Water Solubility, LogSw

-3.35

Polar Surface Area

37.080

Acid Dissociation Constant (pKa)

18.93

Base Dissociation Constant (pKb)

8.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.67

S296-2527 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 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
  • Cancer
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
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 S296-2527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S296-2527?
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What is the minimum amount of S296-2527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S296-2527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S296-2527
  • 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 S296-2527 available by request