4772-0424 Screening compound: 4-(dimethylamino)benzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-(2-hydroxyethyl)hydrazone

4772-0424 Screening compound: 4-(dimethylamino)benzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-(2-hydroxyethyl)hydrazone
4772-0424 Screening compound: 4-(dimethylamino)benzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-(2-hydroxyethyl)hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4772-0424
4-(dimethylamino)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

4772-0424

Molecular Formula

C18H20N4O3S (C18 H20 N4 O3 S)

Compound Name

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

IUPAC name

3-[(2E)-2-{[4-(dimethylamino)phenyl]methylidene}-1-(2-hydroxyethyl)hydrazin-1-yl]-1lambda62-benzothiazole-11-dione

SMILES

CN(C)c1ccc(/C=N/N(CCO)C(c2c3cccc2)=NS3(=O)=O)cc1

InChI

InChI=1S/C18H20N4O3S/c1-21(2)15-9-7-14(8-10-15)13-19-22(11-12-23)18-16-5-3-4-6-17(16)26(24,25)20-18/h3-10,13,23H,11-12H2,1-2H3

InChI Key

DSPHSNAKFZMIGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03214957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.383

Distribution Coefficient, logD

1.383

Water Solubility, LogSw

-2.23

Polar Surface Area

70.633

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

8.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4772-0424 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 4772-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4772-0424?
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What is the minimum amount of 4772-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4772-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4772-0424
  • 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 4772-0424 available by request