8013-3091 Screening compound: 2,4-dichloro-5-(dimethylsulfamoyl)-N-(2-phenylethyl)benzamide

8013-3091 Screening compound: 2,4-dichloro-5-(dimethylsulfamoyl)-N-(2-phenylethyl)benzamide
8013-3091 Screening compound: 2,4-dichloro-5-(dimethylsulfamoyl)-N-(2-phenylethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3091
2,4-dichloro-5-(dimethylsulfamoyl)-N-(2-phenylethyl)benzamide

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

8013-3091

Molecular Formula

C17H18Cl2N2O3S (C17 H18 Cl2 N2 O3 S)

Compound Name

2,4-dichloro-5-(dimethylsulfamoyl)-N-(2-phenylethyl)benzamide

IUPAC name

24-dichloro-5-(dimethylsulfamoyl)-N-(2-phenylethyl)benzamide

SMILES

CN(C)S(c(cc(C(NCCc1ccccc1)=O)c(Cl)c1)c1Cl)(=O)=O

InChI

InChI=1S/C17H18Cl2N2O3S/c1-21(2)25(23,24)16-10-13(14(18)11-15(16)19)17(22)20-9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)

InChI Key

JTYJGPSASPRBCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03765949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.394

Distribution Coefficient, logD

3.393

Water Solubility, LogSw

-4.12

Polar Surface Area

58.157

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-4.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

8013-3091 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-3091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3091?
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What is the minimum amount of 8013-3091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3091
  • 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 8013-3091 available by request