8009-6662 Screening compound: 2-{1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-[(E)-1-(4-methoxyphenyl)methylidene]hydrazino}ethyl cyanide

8009-6662 Screening compound: 2-{1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-[(E)-1-(4-methoxyphenyl)methylidene]hydrazino}ethyl cyanide
8009-6662 Screening compound: 2-{1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-[(E)-1-(4-methoxyphenyl)methylidene]hydrazino}ethyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-6662
2-{1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-[(E)-1-(4-methoxyphenyl)methylidene]hydrazino}ethyl cyanide

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

8009-6662

Molecular Formula

C18H16N4O3S (C18 H16 N4 O3 S)

Compound Name

2-{1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-[(E)-1-(4-methoxyphenyl)methylidene]hydrazino}ethyl cyanide

IUPAC name

3-[(2E)-1-(11-dioxo-1lambda62-benzothiazol-3-yl)-2-[(4-methoxyphenyl)methylidene]hydrazin-1-yl]propanenitrile

SMILES

COc1ccc(/C=N/N(CCC#N)C(c2c3cccc2)=NS3(=O)=O)cc1

InChI

InChI=1S/C18H16N4O3S/c1-25-15-9-7-14(8-10-15)13-20-22(12-4-11-19)18-16-5-2-3-6-17(16)26(23,24)21-18/h2-3,5-10,13H,4,12H2,1H3

InChI Key

NDUWPAYDFFMMKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01426782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.573

Distribution Coefficient, logD

1.573

Water Solubility, LogSw

-2.36

Polar Surface Area

76.209

Acid Dissociation Constant (pKa)

21.83

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 8009-6662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-6662?
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What is the minimum amount of 8009-6662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-6662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-6662
  • 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 8009-6662 available by request