S296-2559 Screening compound: 5-[(3-methoxyphenyl)methyl]-2-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione

S296-2559 Screening compound: 5-[(3-methoxyphenyl)methyl]-2-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione
S296-2559 Screening compound: 5-[(3-methoxyphenyl)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 S296-2559
5-[(3-methoxyphenyl)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

S296-2559

Molecular Formula

C25H29N3O3 (C25 H29 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(CN(C[C@H]2C(N3CCN(CC4)Cc5c4cccc5)=O)C[C@@H]2C3=O)c1

InChI

InChI=1S/C25H29N3O3/c1-31-21-8-4-5-18(13-21)14-27-16-22-23(17-27)25(30)28(24(22)29)12-11-26-10-9-19-6-2-3-7-20(19)15-26/h2-8,13,22-23H,9-12,14-17H2,1H3/t22-,23-/m0/s1

InChI Key

POEYREQQHCSEDC-GOTSBHOMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.326

Distribution Coefficient, logD

-0.454

Water Solubility, LogSw

-2.77

Polar Surface Area

44.623

Acid Dissociation Constant (pKa)

18.93

Base Dissociation Constant (pKb)

10.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

S296-2559 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 S296-2559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S296-2559?
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What is the minimum amount of S296-2559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S296-2559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S296-2559
  • 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 S296-2559 available by request