S296-4460 Screening compound: (3aR,6aS)-2-[3-(2-oxo-1-pyrrolidinyl)propyl]-5-(2,4,5-trifluorobenzyl)tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione

S296-4460 Screening compound: (3aR,6aS)-2-[3-(2-oxo-1-pyrrolidinyl)propyl]-5-(2,4,5-trifluorobenzyl)tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
S296-4460 Screening compound: (3aR,6aS)-2-[3-(2-oxo-1-pyrrolidinyl)propyl]-5-(2,4,5-trifluorobenzyl)tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S296-4460
(3aR,6aS)-2-[3-(2-oxo-1-pyrrolidinyl)propyl]-5-(2,4,5-trifluorobenzyl)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

S296-4460

Molecular Formula

C20H22F3N3O3 (C20 H22 F3 N3 O3)

Compound Name

(3aR,6aS)-2-[3-(2-oxo-1-pyrrolidinyl)propyl]-5-(2,4,5-trifluorobenzyl)tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione

IUPAC name

(3aR6aS)-2-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[(245-trifluorophenyl)methyl]-octahydropyrrolo[34-c]pyrrole-13-dione

SMILES

O=C1N(CCCN(C([C@H]2[C@@H]3CN(Cc(c(F)c4)cc(F)c4F)C2)=O)C3=O)CCC1

InChI

InChI=1S/C20H22F3N3O3/c21-15-8-17(23)16(22)7-12(15)9-24-10-13-14(11-24)20(29)26(19(13)28)6-2-5-25-4-1-3-18(25)27/h7-8,13-14H,1-6,9-11H2/t13-,14+

InChI Key

LMEKQBXOGUCLQL-OKILXGFUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.41

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

0.575

Distribution Coefficient, logD

0.114

Water Solubility, LogSw

-1.41

Polar Surface Area

50.947

Acid Dissociation Constant (pKa)

16.88

Base Dissociation Constant (pKb)

7.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.00

S296-4460 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 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)

New Agro Library (44492 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
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 S296-4460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S296-4460?
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What is the minimum amount of S296-4460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S296-4460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S296-4460
  • 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 S296-4460 available by request