D257-0704 Screening compound: 4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]benzonitrile

D257-0704 Screening compound: 4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]benzonitrile
D257-0704 Screening compound: 4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D257-0704
4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]benzonitrile

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

D257-0704

Molecular Formula

C14H9N3O2S (C14 H9 N3 O2 S)

Compound Name

4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]benzonitrile

IUPAC name

4-[(11-dioxo-1lambda62-benzothiazol-3-yl)amino]benzonitrile

SMILES

N#Cc(cc1)ccc1NC(c1c2cccc1)=NS2(=O)=O

InChI

InChI=1S/C14H9N3O2S/c15-9-10-5-7-11(8-6-10)16-14-12-3-1-2-4-13(12)20(18,19)17-14/h1-8H,(H,16,17)

InChI Key

UQHYIHGNNNJQEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07400498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.900

Distribution Coefficient, logD

1.457

Water Solubility, LogSw

-2.72

Polar Surface Area

67.901

Acid Dissociation Constant (pKa)

7.15

Base Dissociation Constant (pKb)

-2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D257-0704 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

Fragments Library (11262 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D257-0704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D257-0704?
Check Price and Availability of D257-0704, 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 D257-0704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D257-0704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D257-0704
  • 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 D257-0704 available by request