4772-0566 Screening compound: 5-bromo-2-furaldehyde 2-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-(2-hydroxyethyl)hydrazone

4772-0566 Screening compound: 5-bromo-2-furaldehyde 2-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-(2-hydroxyethyl)hydrazone
4772-0566 Screening compound: 5-bromo-2-furaldehyde 2-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-(2-hydroxyethyl)hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4772-0566
5-bromo-2-furaldehyde 2-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-(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

4772-0566

Molecular Formula

C14H12BrN3O4S (C14 H12 BrN3 O4 S)

Compound Name

5-bromo-2-furaldehyde 2-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-(2-hydroxyethyl)hydrazone

IUPAC name

3-[(2E)-2-[(5-bromofuran-2-yl)methylidene]-1-(2-hydroxyethyl)hydrazin-1-yl]-1lambda62-benzothiazole-11-dione

SMILES

OCCN(C(c1c2cccc1)=NS2(=O)=O)/N=C/c(o1)ccc1Br

InChI

InChI=1S/C14H12BrN3O4S/c15-13-6-5-10(22-13)9-16-18(7-8-19)14-11-3-1-2-4-12(11)23(20,21)17-14/h1-6,9,19H,7-8H2

InChI Key

LDYXMTVFRZHNBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03215073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.24

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.546

Distribution Coefficient, logD

1.546

Water Solubility, LogSw

-2.29

Polar Surface Area

75.925

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 4772-0566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4772-0566?
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What is the minimum amount of 4772-0566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4772-0566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4772-0566
  • 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 4772-0566 available by request