8013-1830 Screening compound: 4-chloro-N-{[2-(methylsulfanyl)-4,6-diphenylpyridin-3-yl]methyl}benzene-1-sulfonamide

8013-1830 Screening compound: 4-chloro-N-{[2-(methylsulfanyl)-4,6-diphenylpyridin-3-yl]methyl}benzene-1-sulfonamide
8013-1830 Screening compound: 4-chloro-N-{[2-(methylsulfanyl)-4,6-diphenylpyridin-3-yl]methyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1830
4-chloro-N-{[2-(methylsulfanyl)-4,6-diphenylpyridin-3-yl]methyl}benzene-1-sulfonamide

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

8013-1830

Molecular Formula

C25H21ClN2O2S2 (C25 H21 ClN2 O2 S2)

Compound Name

4-chloro-N-{[2-(methylsulfanyl)-4,6-diphenylpyridin-3-yl]methyl}benzene-1-sulfonamide

IUPAC name

4-chloro-N-{[2-(methylsulfanyl)-46-diphenylpyridin-3-yl]methyl}benzene-1-sulfonamide

SMILES

CSc1c(CNS(c(cc2)ccc2Cl)(=O)=O)c(-c2ccccc2)cc(-c2ccccc2)n1

InChI

InChI=1S/C25H21ClN2O2S2/c1-31-25-23(17-27-32(29,30)21-14-12-20(26)13-15-21)22(18-8-4-2-5-9-18)16-24(28-25)19-10-6-3-7-11-19/h2-16,27H,17H2,1H3

InChI Key

RYGGJDBAVFYNBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03763581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.04

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.522

Distribution Coefficient, logD

7.521

Water Solubility, LogSw

-6.54

Polar Surface Area

50.201

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

8013-1830 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-1830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1830?
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What is the minimum amount of 8013-1830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1830
  • 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 8013-1830 available by request