6681-0034 Screening compound: 2-[4-chloro(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)anilino]ethyl 4-[(dimethylamino)sulfonyl]benzoate

6681-0034 Screening compound: 2-[4-chloro(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)anilino]ethyl 4-[(dimethylamino)sulfonyl]benzoate
6681-0034 Screening compound: 2-[4-chloro(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)anilino]ethyl 4-[(dimethylamino)sulfonyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6681-0034
2-[4-chloro(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)anilino]ethyl 4-[(dimethylamino)sulfonyl]benzoate

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

6681-0034

Molecular Formula

C24H22ClN3O6S2 (C24 H22 ClN3 O6 S2)

Compound Name

2-[4-chloro(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)anilino]ethyl 4-[(dimethylamino)sulfonyl]benzoate

IUPAC name

2-[(4-chlorophenyl)(11-dioxo-1lambda62-benzothiazol-3-yl)amino]ethyl 4-(dimethylsulfamoyl)benzoate

SMILES

CN(C)S(c(cc1)ccc1C(OCCN(C(c1c2cccc1)=NS2(=O)=O)c(cc1)ccc1Cl)=O)(=O)=O

InChI

InChI=1S/C24H22ClN3O6S2/c1-27(2)36(32,33)20-13-7-17(8-14-20)24(29)34-16-15-28(19-11-9-18(25)10-12-19)23-21-5-3-4-6-22(21)35(30,31)26-23/h3-14H,15-16H2,1-2H3

InChI Key

AOGZGFZRYVJBNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06760141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.04

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.335

Distribution Coefficient, logD

4.335

Water Solubility, LogSw

-4.64

Polar Surface Area

96.523

Acid Dissociation Constant (pKa)

30.67

Base Dissociation Constant (pKb)

-4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

6681-0034 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6681-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6681-0034?
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What is the minimum amount of 6681-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6681-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6681-0034
  • 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 6681-0034 available by request