S296-1723 Screening compound: 4,6-dioxo-N-propyl-5-[1-(thiophen-2-yl)propyl]-octahydropyrrolo[3,4-c]pyrrole-2-carboxamide

S296-1723 Screening compound: 4,6-dioxo-N-propyl-5-[1-(thiophen-2-yl)propyl]-octahydropyrrolo[3,4-c]pyrrole-2-carboxamide
S296-1723 Screening compound: 4,6-dioxo-N-propyl-5-[1-(thiophen-2-yl)propyl]-octahydropyrrolo[3,4-c]pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S296-1723
4,6-dioxo-N-propyl-5-[1-(thiophen-2-yl)propyl]-octahydropyrrolo[3,4-c]pyrrole-2-carboxamide

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

S296-1723

Molecular Formula

C17H23N3O3S (C17 H23 N3 O3 S)

Compound Name

4,6-dioxo-N-propyl-5-[1-(thiophen-2-yl)propyl]-octahydropyrrolo[3,4-c]pyrrole-2-carboxamide

IUPAC name

(3aR6aS)-46-dioxo-N-propyl-5-[1-(thiophen-2-yl)propyl]-octahydropyrrolo[34-c]pyrrole-2-carboxamide

SMILES

CCCNC(N(C[C@H]1C(N2C(CC)c3cccs3)=O)C[C@@H]1C2=O)=O

InChI

InChI=1S/C17H23N3O3S/c1-3-7-18-17(23)19-9-11-12(10-19)16(22)20(15(11)21)13(4-2)14-6-5-8-24-14/h5-6,8,11-13H,3-4,7,9-10H2,1-2H3,(H,18,23)/t11-,12+,13?

InChI Key

OGBARRNSQVRAFN-FUNVUKJBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.774

Distribution Coefficient, logD

1.774

Water Solubility, LogSw

-2.53

Polar Surface Area

56.572

Acid Dissociation Constant (pKa)

16.84

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

58.80

S296-1723 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S296-1723 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S296-1723?
Check Price and Availability of S296-1723, 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 S296-1723 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S296-1723
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S296-1723
  • 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 S296-1723 available by request