S296-1856 Screening compound: 3-({5-methyl-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrol-2-yl}methyl)benzonitrile

S296-1856 Screening compound: 3-({5-methyl-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrol-2-yl}methyl)benzonitrile
S296-1856 Screening compound: 3-({5-methyl-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrol-2-yl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S296-1856
3-({5-methyl-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrol-2-yl}methyl)benzonitrile

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

S296-1856

Molecular Formula

C15H15N3O2 (C15 H15 N3 O2)

Compound Name

3-({5-methyl-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrol-2-yl}methyl)benzonitrile

IUPAC name

3-{[(3aR6aS)-5-methyl-46-dioxo-octahydropyrrolo[34-c]pyrrol-2-yl]methyl}benzonitrile

SMILES

CN(C([C@H]1[C@@H]2CN(Cc3cc(C#N)ccc3)C1)=O)C2=O

InChI

InChI=1S/C15H15N3O2/c1-17-14(19)12-8-18(9-13(12)15(17)20)7-11-4-2-3-10(5-11)6-16/h2-5,12-13H,7-9H2,1H3/t12-,13-/m0/s1

InChI Key

QZOFIAFVZROSOK-STQMWFEESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.069

Distribution Coefficient, logD

-0.306

Water Solubility, LogSw

-1.74

Polar Surface Area

50.550

Acid Dissociation Constant (pKa)

18.35

Base Dissociation Constant (pKb)

7.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

S296-1856 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS MPO Library (28609 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

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Cancer
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S296-1856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S296-1856?
Check Price and Availability of S296-1856, 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 S296-1856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S296-1856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S296-1856
  • 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 S296-1856 available by request