6526-0817 Screening compound: 2-[(benzenesulfonyl)methyl]-3-[(4-methylphenyl)sulfanyl]-1H-indole

6526-0817 Screening compound: 2-[(benzenesulfonyl)methyl]-3-[(4-methylphenyl)sulfanyl]-1H-indole
6526-0817 Screening compound: 2-[(benzenesulfonyl)methyl]-3-[(4-methylphenyl)sulfanyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6526-0817
2-[(benzenesulfonyl)methyl]-3-[(4-methylphenyl)sulfanyl]-1H-indole

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

6526-0817

Molecular Formula

C22H19NO2S2 (C22 H19 NO2 S2)

Compound Name

2-[(benzenesulfonyl)methyl]-3-[(4-methylphenyl)sulfanyl]-1H-indole

IUPAC name

2-[(benzenesulfonyl)methyl]-3-[(4-methylphenyl)sulfanyl]-1H-indole

SMILES

Cc(cc1)ccc1Sc1c(CS(c2ccccc2)(=O)=O)[nH]c2c1cccc2

InChI

InChI=1S/C22H19NO2S2/c1-16-11-13-17(14-12-16)26-22-19-9-5-6-10-20(19)23-21(22)15-27(24,25)18-7-3-2-4-8-18/h2-14,23H,15H2,1H3

InChI Key

USZZWLSSVVQDNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03352869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.899

Distribution Coefficient, logD

4.899

Water Solubility, LogSw

-4.79

Polar Surface Area

39.346

Acid Dissociation Constant (pKa)

17.61

Base Dissociation Constant (pKb)

-3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

6526-0817 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6526-0817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6526-0817?
Check Price and Availability of 6526-0817, 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 6526-0817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6526-0817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6526-0817
  • 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 6526-0817 available by request