0227-0689 Screening compound: 2-(4-methylbenzenesulfonyl)-2,3-dihydro-1H-isoindole-1,3-dione

0227-0689 Screening compound: 2-(4-methylbenzenesulfonyl)-2,3-dihydro-1H-isoindole-1,3-dione
0227-0689 Screening compound: 2-(4-methylbenzenesulfonyl)-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0227-0689
2-(4-methylbenzenesulfonyl)-2,3-dihydro-1H-isoindole-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

0227-0689

Molecular Formula

C15H11NO4S (C15 H11 NO4 S)

Compound Name

2-(4-methylbenzenesulfonyl)-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-(4-methylbenzenesulfonyl)-23-dihydro-1H-isoindole-13-dione

SMILES

Cc(cc1)ccc1S(N(C(c1c2cccc1)=O)C2=O)(=O)=O

InChI

InChI=1S/C15H11NO4S/c1-10-6-8-11(9-7-10)21(19,20)16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9H,1H3

InChI Key

XUOVUJLDTKFSEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00626543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.822

Distribution Coefficient, logD

2.822

Water Solubility, LogSw

-3.52

Polar Surface Area

58.692

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-20.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

0227-0689 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Nervous system
Agro:
  • Agro
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0227-0689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0227-0689?
Check Price and Availability of 0227-0689, 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 0227-0689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0227-0689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0227-0689
  • 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 0227-0689 available by request