S296-1859 Screening compound: (3aR,6aS)-5-(3-chloro-4-fluorobenzyl)-2-methyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione

S296-1859 Screening compound: (3aR,6aS)-5-(3-chloro-4-fluorobenzyl)-2-methyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
S296-1859 Screening compound: (3aR,6aS)-5-(3-chloro-4-fluorobenzyl)-2-methyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S296-1859
(3aR,6aS)-5-(3-chloro-4-fluorobenzyl)-2-methyltetrahydropyrrolo[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

S296-1859

Molecular Formula

C14H14ClFN2O2 (C14 H14 ClFN2 O2)

Compound Name

(3aR,6aS)-5-(3-chloro-4-fluorobenzyl)-2-methyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione

IUPAC name

(3aR6aS)-5-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-octahydropyrrolo[34-c]pyrrole-13-dione

SMILES

CN(C([C@H]1[C@@H]2CN(Cc(cc3)cc(Cl)c3F)C1)=O)C2=O

InChI

InChI=1S/C14H14ClFN2O2/c1-17-13(19)9-6-18(7-10(9)14(17)20)5-8-2-3-12(16)11(15)4-8/h2-4,9-10H,5-7H2,1H3/t9-,10+

InChI Key

JRNHJYNIGDHZDZ-AOOOYVTPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.73

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.930

Distribution Coefficient, logD

0.413

Water Solubility, LogSw

-2.62

Polar Surface Area

33.494

Acid Dissociation Constant (pKa)

18.35

Base Dissociation Constant (pKb)

7.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.86

S296-1859 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 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)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
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
  • Epigenetic

References: we are preparing a list of scientific research reports with S296-1859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S296-1859?
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What is the minimum amount of S296-1859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S296-1859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S296-1859
  • 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 S296-1859 available by request