6298-0083 Screening compound: 9-anthracenecarbaldehyde 9-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-9-(2-hydroxyethyl)hydrazone

6298-0083 Screening compound: 9-anthracenecarbaldehyde 9-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-9-(2-hydroxyethyl)hydrazone
6298-0083 Screening compound: 9-anthracenecarbaldehyde 9-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-9-(2-hydroxyethyl)hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 6298-0083
9-anthracenecarbaldehyde 9-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-9-(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

6298-0083

Molecular Formula

C24H19N3O3S (C24 H19 N3 O3 S)

Compound Name

9-anthracenecarbaldehyde 9-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-9-(2-hydroxyethyl)hydrazone

IUPAC name

3-[(2E)-2-[(anthracen-9-yl)methylidene]-1-(2-hydroxyethyl)hydrazin-1-yl]-1lambda62-benzothiazole-11-dione

SMILES

OCCN(C(c1c2cccc1)=NS2(=O)=O)/N=C/c1c(cccc2)c2cc2ccccc12

InChI

InChI=1S/C24H19N3O3S/c28-14-13-27(24-21-11-5-6-12-23(21)31(29,30)26-24)25-16-22-19-9-3-1-7-17(19)15-18-8-2-4-10-20(18)22/h1-12,15-16,28H,13-14H2

InChI Key

ZFQYNXDMKYSTPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03215139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.5

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

3.872

Distribution Coefficient, logD

3.872

Water Solubility, LogSw

-4.11

Polar Surface Area

67.286

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

6298-0083 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6298-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6298-0083?
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What is the minimum amount of 6298-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6298-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6298-0083
  • 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 6298-0083 available by request