4772-0459 Screening compound: 4-chlorobenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-(2-hydroxyethyl)hydrazone

4772-0459 Screening compound: 4-chlorobenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-(2-hydroxyethyl)hydrazone
4772-0459 Screening compound: 4-chlorobenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-(2-hydroxyethyl)hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4772-0459
4-chlorobenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-(2-hydroxyethyl)hydrazone

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

4772-0459

Molecular Formula

C16H14ClN3O3S (C16 H14 ClN3 O3 S)

Compound Name

4-chlorobenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-(2-hydroxyethyl)hydrazone

IUPAC name

3-[(2E)-2-[(4-chlorophenyl)methylidene]-1-(2-hydroxyethyl)hydrazin-1-yl]-1lambda62-benzothiazole-11-dione

SMILES

OCCN(C(c1c2cccc1)=NS2(=O)=O)/N=C/c(cc1)ccc1Cl

InChI

InChI=1S/C16H14ClN3O3S/c17-13-7-5-12(6-8-13)11-18-20(9-10-21)16-14-3-1-2-4-15(14)24(22,23)19-16/h1-8,11,21H,9-10H2

InChI Key

DXZYHWRIRYVPFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03214982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.82

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.888

Distribution Coefficient, logD

1.888

Water Solubility, LogSw

-2.84

Polar Surface Area

67.829

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4772-0459 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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 4772-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4772-0459?
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What is the minimum amount of 4772-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4772-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4772-0459
  • 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 4772-0459 available by request