5941-1343 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl 2-methylbenzoate

5941-1343 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl 2-methylbenzoate
5941-1343 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl 2-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5941-1343
2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl 2-methylbenzoate

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

5941-1343

Molecular Formula

C21H16N2O4S (C21 H16 N2 O4 S)

Compound Name

2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl 2-methylbenzoate

IUPAC name

2-[(11-dioxo-1lambda62-benzothiazol-3-yl)amino]phenyl 2-methylbenzoate

SMILES

Cc(cccc1)c1C(Oc(cccc1)c1NC(c1c2cccc1)=NS2(=O)=O)=O

InChI

InChI=1S/C21H16N2O4S/c1-14-8-2-3-9-15(14)21(24)27-18-12-6-5-11-17(18)22-20-16-10-4-7-13-19(16)28(25,26)23-20/h2-13H,1H3,(H,22,23)

InChI Key

SKCGJDNPIKTFAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03998607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.969

Distribution Coefficient, logD

3.856

Water Solubility, LogSw

-4.26

Polar Surface Area

70.611

Acid Dissociation Constant (pKa)

7.93

Base Dissociation Constant (pKb)

-3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

5941-1343 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 5941-1343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5941-1343?
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What is the minimum amount of 5941-1343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5941-1343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5941-1343
  • 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 5941-1343 available by request