6232-0028 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)anilino]-N'~1~-[(E)-1-(3-methoxyphenyl)methylidene]acetohydrazide

6232-0028 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)anilino]-N'~1~-[(E)-1-(3-methoxyphenyl)methylidene]acetohydrazide
6232-0028 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)anilino]-N'~1~-[(E)-1-(3-methoxyphenyl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6232-0028
2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)anilino]-N'~1~-[(E)-1-(3-methoxyphenyl)methylidene]acetohydrazide

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

6232-0028

Molecular Formula

C23H20N4O4S (C23 H20 N4 O4 S)

Compound Name

2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)anilino]-N'~1~-[(E)-1-(3-methoxyphenyl)methylidene]acetohydrazide

IUPAC name

2-[(11-dioxo-1lambda62-benzothiazol-3-yl)(phenyl)amino]-N'-[(E)-(3-methoxyphenyl)methylidene]acetohydrazide

SMILES

COc1cccc(/C=N/NC(CN(C(c2c3cccc2)=NS3(=O)=O)c2ccccc2)=O)c1

InChI

InChI=1S/C23H20N4O4S/c1-31-19-11-7-8-17(14-19)15-24-25-22(28)16-27(18-9-3-2-4-10-18)23-20-12-5-6-13-21(20)32(29,30)26-23/h2-15H,16H2,1H3,(H,25,28)

InChI Key

INYWSWCSEDCOIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01579599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.171

Distribution Coefficient, logD

3.171

Water Solubility, LogSw

-3.68

Polar Surface Area

84.751

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

6232-0028 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6232-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6232-0028?
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What is the minimum amount of 6232-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6232-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6232-0028
  • 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 6232-0028 available by request