4772-0514 Screening compound: 4-ethoxybenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone

4772-0514 Screening compound: 4-ethoxybenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone
4772-0514 Screening compound: 4-ethoxybenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4772-0514
4-ethoxybenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)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

4772-0514

Molecular Formula

C16H15N3O3S (C16 H15 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(/C=N/NC(c2c3cccc2)=NS3(=O)=O)cc1

InChI

InChI=1S/C16H15N3O3S/c1-2-22-13-9-7-12(8-10-13)11-17-18-16-14-5-3-4-6-15(14)23(20,21)19-16/h3-11H,2H2,1H3,(H,18,19)

InChI Key

QGOFVBUOPUXXLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03215032

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

2.553

Distribution Coefficient, logD

2.192

Water Solubility, LogSw

-3.03

Polar Surface Area

70.193

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 4772-0514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4772-0514?
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What is the minimum amount of 4772-0514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4772-0514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4772-0514
  • 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 4772-0514 available by request