S296-2536 Screening compound: 5-[(2,4-difluorophenyl)methyl]-2-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione

S296-2536 Screening compound: 5-[(2,4-difluorophenyl)methyl]-2-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione
S296-2536 Screening compound: 5-[(2,4-difluorophenyl)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 S296-2536
5-[(2,4-difluorophenyl)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

S296-2536

Molecular Formula

C24H25F2N3O2 (C24 H25 F2 N3 O2)

Compound Name

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

IUPAC name

(3aR6aS)-5-[(24-difluorophenyl)methyl]-2-[2-(1234-tetrahydroisoquinolin-2-yl)ethyl]-octahydropyrrolo[34-c]pyrrole-13-dione

SMILES

O=C([C@H]1[C@@H]2CN(Cc(ccc(F)c3)c3F)C1)N(CCN(CC1)Cc3c1cccc3)C2=O

InChI

InChI=1S/C24H25F2N3O2/c25-19-6-5-18(22(26)11-19)13-28-14-20-21(15-28)24(31)29(23(20)30)10-9-27-8-7-16-3-1-2-4-17(16)12-27/h1-6,11,20-21H,7-10,12-15H2/t20-,21+

InChI Key

KTNNDSLMMJTHTF-OYRHEFFESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.48

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

2.604

Distribution Coefficient, logD

1.956

Water Solubility, LogSw

-2.84

Polar Surface Area

37.080

Acid Dissociation Constant (pKa)

18.93

Base Dissociation Constant (pKb)

7.94

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.70

S296-2536 in Drug Discovery

Included in Screening Libraries

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

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with S296-2536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S296-2536?
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What is the minimum amount of S296-2536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S296-2536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S296-2536
  • 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 S296-2536 available by request