S296-1609 Screening compound: (3aR,6aS)-5-isopentyl-2-[1-(2-thienyl)propyl]tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione

S296-1609 Screening compound: (3aR,6aS)-5-isopentyl-2-[1-(2-thienyl)propyl]tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
S296-1609 Screening compound: (3aR,6aS)-5-isopentyl-2-[1-(2-thienyl)propyl]tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S296-1609
(3aR,6aS)-5-isopentyl-2-[1-(2-thienyl)propyl]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

S296-1609

Molecular Formula

C18H26N2O2S (C18 H26 N2 O2 S)

Compound Name

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

IUPAC name

(3aR6aS)-5-(3-methylbutyl)-2-[1-(thiophen-2-yl)propyl]-octahydropyrrolo[34-c]pyrrole-13-dione

SMILES

CCC(c1cccs1)N(C([C@H]1[C@@H]2CN(CCC(C)C)C1)=O)C2=O

InChI

InChI=1S/C18H26N2O2S/c1-4-15(16-6-5-9-23-16)20-17(21)13-10-19(8-7-12(2)3)11-14(13)18(20)22/h5-6,9,12-15H,4,7-8,10-11H2,1-3H3/t13-,14+,15?

InChI Key

ISJJYWHMTPAZEZ-YIONKMFJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.718

Distribution Coefficient, logD

0.163

Water Solubility, LogSw

-2.92

Polar Surface Area

33.650

Acid Dissociation Constant (pKa)

19.23

Base Dissociation Constant (pKb)

9.95

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

66.70

S296-1609 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)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S296-1609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S296-1609?
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What is the minimum amount of S296-1609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S296-1609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S296-1609
  • 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 S296-1609 available by request