4772-0720 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-3-methylanilino]ethyl 2-methoxybenzoate

4772-0720 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-3-methylanilino]ethyl 2-methoxybenzoate
4772-0720 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-3-methylanilino]ethyl 2-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4772-0720
2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-3-methylanilino]ethyl 2-methoxybenzoate

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

4772-0720

Molecular Formula

C24H22N2O5S (C24 H22 N2 O5 S)

Compound Name

2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-3-methylanilino]ethyl 2-methoxybenzoate

IUPAC name

2-[(11-dioxo-1lambda62-benzothiazol-3-yl)(3-methylphenyl)amino]ethyl 2-methoxybenzoate

SMILES

Cc1cccc(N(CCOC(c(cccc2)c2OC)=O)C(c2c3cccc2)=NS3(=O)=O)c1

InChI

InChI=1S/C24H22N2O5S/c1-17-8-7-9-18(16-17)26(23-20-11-4-6-13-22(20)32(28,29)25-23)14-15-31-24(27)19-10-3-5-12-21(19)30-2/h3-13,16H,14-15H2,1-2H3

InChI Key

KPDFUHHBZKVOSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02640451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.531

Distribution Coefficient, logD

4.531

Water Solubility, LogSw

-4.36

Polar Surface Area

70.490

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4772-0720 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 4772-0720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4772-0720?
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What is the minimum amount of 4772-0720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4772-0720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4772-0720
  • 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 4772-0720 available by request