2668-0007 Screening compound: ISONICOTINALDEHYDE 4-(1,1-DIOXO-1H-1,2-BENZISOTHIAZOL-3-YL)-4-METHYLHYDRAZONE

2668-0007 Screening compound: ISONICOTINALDEHYDE 4-(1,1-DIOXO-1H-1,2-BENZISOTHIAZOL-3-YL)-4-METHYLHYDRAZONE
2668-0007 Screening compound: ISONICOTINALDEHYDE 4-(1,1-DIOXO-1H-1,2-BENZISOTHIAZOL-3-YL)-4-METHYLHYDRAZONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 2668-0007
ISONICOTINALDEHYDE 4-(1,1-DIOXO-1H-1,2-BENZISOTHIAZOL-3-YL)-4-METHYLHYDRAZONE

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

2668-0007

Molecular Formula

C14H12N4O2S (C14 H12 N4 O2 S)

Compound Name

ISONICOTINALDEHYDE 4-(1,1-DIOXO-1H-1,2-BENZISOTHIAZOL-3-YL)-4-METHYLHYDRAZONE

IUPAC name

n/a

SMILES

CN(C(c1c2cccc1)=NS2(=O)=O)/N=C/c1ccncc1

InChI

InChI=1S/C14H12N4O2S/c1-18(16-10-11-6-8-15-9-7-11)14-12-4-2-3-5-13(12)21(19,20)17-14/h2-10H,1H3

InChI Key

KWCSDJJCMRBRLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02951129

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

300.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.765

Distribution Coefficient, logD

0.764

Water Solubility, LogSw

-1.80

Polar Surface Area

60.854

Acid Dissociation Constant (pKa)

30.12

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

2668-0007 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2668-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2668-0007?
Check Price and Availability of 2668-0007, 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 2668-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2668-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2668-0007
  • 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 2668-0007 available by request