D257-0717 Screening compound: 3-(4-acetylanilino)-1H-1,2-benzisothiazole-1,1-dione

D257-0717 Screening compound: 3-(4-acetylanilino)-1H-1,2-benzisothiazole-1,1-dione
D257-0717 Screening compound: 3-(4-acetylanilino)-1H-1,2-benzisothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D257-0717
3-(4-acetylanilino)-1H-1,2-benzisothiazole-1,1-dione

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

D257-0717

Molecular Formula

C15H12N2O3S (C15 H12 N2 O3 S)

Compound Name

3-(4-acetylanilino)-1H-1,2-benzisothiazole-1,1-dione

IUPAC name

3-[(4-acetylphenyl)amino]-1lambda62-benzothiazole-11-dione

SMILES

CC(c(cc1)ccc1NC(c1c2cccc1)=NS2(=O)=O)=O

InChI

InChI=1S/C15H12N2O3S/c1-10(18)11-6-8-12(9-7-11)16-15-13-4-2-3-5-14(13)21(19,20)17-15/h2-9H,1H3,(H,16,17)

InChI Key

BTADRIYUJFKFFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03619347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.787

Distribution Coefficient, logD

1.431

Water Solubility, LogSw

-2.60

Polar Surface Area

64.671

Acid Dissociation Constant (pKa)

7.30

Base Dissociation Constant (pKb)

-2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

D257-0717 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 Library (67538 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic
  • Epigenetic

References: we are preparing a list of scientific research reports with D257-0717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D257-0717?
Check Price and Availability of D257-0717, 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 D257-0717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D257-0717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D257-0717
  • 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 D257-0717 available by request