6113-2222 Screening compound: 4-chloro-N-[2-(pyridin-2-ylsulfanyl)ethyl]benzene-1-sulfonamide

6113-2222 Screening compound: 4-chloro-N-[2-(pyridin-2-ylsulfanyl)ethyl]benzene-1-sulfonamide
6113-2222 Screening compound: 4-chloro-N-[2-(pyridin-2-ylsulfanyl)ethyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6113-2222
4-chloro-N-[2-(pyridin-2-ylsulfanyl)ethyl]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

6113-2222

Molecular Formula

C13H13ClN2O2S2 (C13 H13 ClN2 O2 S2)

Compound Name

4-chloro-N-[2-(pyridin-2-ylsulfanyl)ethyl]benzene-1-sulfonamide

IUPAC name

4-chloro-N-[2-(pyridin-2-ylsulfanyl)ethyl]benzene-1-sulfonamide

SMILES

O=S(c(cc1)ccc1Cl)(NCCSc1ncccc1)=O

InChI

InChI=1S/C13H13ClN2O2S2/c14-11-4-6-12(7-5-11)20(17,18)16-9-10-19-13-3-1-2-8-15-13/h1-8,16H,9-10H2

InChI Key

LILRTPXLIMSAQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02641005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.014

Distribution Coefficient, logD

3.014

Water Solubility, LogSw

-3.56

Polar Surface Area

50.247

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

6113-2222 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6113-2222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6113-2222?
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What is the minimum amount of 6113-2222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6113-2222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6113-2222
  • 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 6113-2222 available by request