5058-0039 Screening compound: 4-fluorobenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-(2-hydroxyethyl)hydrazone

5058-0039 Screening compound: 4-fluorobenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-(2-hydroxyethyl)hydrazone
5058-0039 Screening compound: 4-fluorobenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-(2-hydroxyethyl)hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 5058-0039
4-fluorobenzaldehyde 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

5058-0039

Molecular Formula

C16H14FN3O3S (C16 H14 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

OCCN(C(c1c2cccc1)=NS2(=O)=O)/N=C/c(cc1)ccc1F

InChI

InChI=1S/C16H14FN3O3S/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

UUMNNCDZQZOCPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03271794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.37

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

1.322

Distribution Coefficient, logD

1.322

Water Solubility, LogSw

-2.21

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

5058-0039 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5058-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5058-0039?
Check Price and Availability of 5058-0039, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5058-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5058-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5058-0039
  • 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 5058-0039 available by request