2231-0006 Screening compound: 2-[2-[(E)-1-(3,4-dimethoxyphenyl)methylidene]-1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazino]ethyl cyanide

2231-0006 Screening compound: 2-[2-[(E)-1-(3,4-dimethoxyphenyl)methylidene]-1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazino]ethyl cyanide
2231-0006 Screening compound: 2-[2-[(E)-1-(3,4-dimethoxyphenyl)methylidene]-1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazino]ethyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2231-0006
2-[2-[(E)-1-(3,4-dimethoxyphenyl)methylidene]-1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)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

2231-0006

Molecular Formula

C19H18N4O4S (C19 H18 N4 O4 S)

Compound Name

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

IUPAC name

3-[(2E)-2-[(34-dimethoxyphenyl)methylidene]-1-(11-dioxo-1lambda62-benzothiazol-3-yl)hydrazin-1-yl]propanenitrile

SMILES

COc(ccc(/C=N/N(CCC#N)C(c1c2cccc1)=NS2(=O)=O)c1)c1OC

InChI

InChI=1S/C19H18N4O4S/c1-26-16-9-8-14(12-17(16)27-2)13-21-23(11-5-10-20)19-15-6-3-4-7-18(15)28(24,25)22-19/h3-4,6-9,12-13H,5,11H2,1-2H3

InChI Key

IRLIPGMOOMHXTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01429722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.356

Distribution Coefficient, logD

1.356

Water Solubility, LogSw

-2.26

Polar Surface Area

83.926

Acid Dissociation Constant (pKa)

21.83

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

2231-0006 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2231-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2231-0006?
Check Price and Availability of 2231-0006, 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 2231-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2231-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2231-0006
  • 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 2231-0006 available by request