S296-2532 Screening compound: 5-[(2-fluorophenyl)methyl]-2-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione

S296-2532 Screening compound: 5-[(2-fluorophenyl)methyl]-2-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione
S296-2532 Screening compound: 5-[(2-fluorophenyl)methyl]-2-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S296-2532
5-[(2-fluorophenyl)methyl]-2-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-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

S296-2532

Molecular Formula

C24H26FN3O2 (C24 H26 FN3 O2)

Compound Name

5-[(2-fluorophenyl)methyl]-2-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione

IUPAC name

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

SMILES

O=C([C@H]1[C@@H]2CN(Cc(cccc3)c3F)C1)N(CCN(CC1)Cc3c1cccc3)C2=O

InChI

InChI=1S/C24H26FN3O2/c25-22-8-4-3-7-19(22)14-27-15-20-21(16-27)24(30)28(23(20)29)12-11-26-10-9-17-5-1-2-6-18(17)13-26/h1-8,20-21H,9-16H2/t20-,21+

InChI Key

NNMLUBHFZQCOEX-OYRHEFFESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

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

2.565

Distribution Coefficient, logD

1.582

Water Solubility, LogSw

-2.77

Polar Surface Area

37.080

Acid Dissociation Constant (pKa)

18.93

Base Dissociation Constant (pKb)

8.33

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.70

S296-2532 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 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)

New Agro Library (44492 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S296-2532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S296-2532?
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What is the minimum amount of S296-2532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S296-2532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S296-2532
  • 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 S296-2532 available by request