4772-0420 Screening compound: benzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-(2-hydroxyethyl)hydrazone

4772-0420 Screening compound: benzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-(2-hydroxyethyl)hydrazone
4772-0420 Screening compound: benzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-(2-hydroxyethyl)hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4772-0420
benzaldehyde 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

4772-0420

Molecular Formula

C16H15N3O3S (C16 H15 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

OCCN(C(c1c2cccc1)=NS2(=O)=O)/N=C/c1ccccc1

InChI

InChI=1S/C16H15N3O3S/c20-11-10-19(17-12-13-6-2-1-3-7-13)16-14-8-4-5-9-15(14)23(21,22)18-16/h1-9,12,20H,10-11H2

InChI Key

DAAZAPCUEHVOIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03214954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.38

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

1.297

Distribution Coefficient, logD

1.297

Water Solubility, LogSw

-2.22

Polar Surface Area

67.829

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4772-0420 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 4772-0420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4772-0420?
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What is the minimum amount of 4772-0420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4772-0420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4772-0420
  • 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 4772-0420 available by request