S296-0736 Screening compound: 2-(2-methoxyethyl)-5-{[4-(trifluoromethoxy)phenyl]methyl}-octahydropyrrolo[3,4-c]pyrrole-1,3-dione

S296-0736 Screening compound: 2-(2-methoxyethyl)-5-{[4-(trifluoromethoxy)phenyl]methyl}-octahydropyrrolo[3,4-c]pyrrole-1,3-dione
S296-0736 Screening compound: 2-(2-methoxyethyl)-5-{[4-(trifluoromethoxy)phenyl]methyl}-octahydropyrrolo[3,4-c]pyrrole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S296-0736
2-(2-methoxyethyl)-5-{[4-(trifluoromethoxy)phenyl]methyl}-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

S296-0736

Molecular Formula

C17H19F3N2O4 (C17 H19 F3 N2 O4)

Compound Name

2-(2-methoxyethyl)-5-{[4-(trifluoromethoxy)phenyl]methyl}-octahydropyrrolo[3,4-c]pyrrole-1,3-dione

IUPAC name

(3aR6aS)-2-(2-methoxyethyl)-5-{[4-(trifluoromethoxy)phenyl]methyl}-octahydropyrrolo[34-c]pyrrole-13-dione

SMILES

COCCN(C([C@H]1[C@@H]2CN(Cc(cc3)ccc3OC(F)(F)F)C1)=O)C2=O

InChI

InChI=1S/C17H19F3N2O4/c1-25-7-6-22-15(23)13-9-21(10-14(13)16(22)24)8-11-2-4-12(5-3-11)26-17(18,19)20/h2-5,13-14H,6-10H2,1H3/t13-,14+

InChI Key

WDQXTWPCIYXYMK-OKILXGFUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.654

Distribution Coefficient, logD

0.548

Water Solubility, LogSw

-2.45

Polar Surface Area

47.986

Acid Dissociation Constant (pKa)

18.93

Base Dissociation Constant (pKb)

8.47

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.90

S296-0736 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 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

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

References: we are preparing a list of scientific research reports with S296-0736 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S296-0736?
Check Price and Availability of S296-0736, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S296-0736 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S296-0736
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S296-0736
  • 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 S296-0736 available by request