D257-0714 Screening compound: ethyl 3-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]benzoate

D257-0714 Screening compound: ethyl 3-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]benzoate
D257-0714 Screening compound: ethyl 3-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D257-0714
ethyl 3-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]benzoate

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

D257-0714

Molecular Formula

C16H14N2O4S (C16 H14 N2 O4 S)

Compound Name

ethyl 3-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]benzoate

IUPAC name

ethyl 3-[(11-dioxo-1lambda62-benzothiazol-3-yl)amino]benzoate

SMILES

CCOC(c1cccc(NC(c2c3cccc2)=NS3(=O)=O)c1)=O

InChI

InChI=1S/C16H14N2O4S/c1-2-22-16(19)11-6-5-7-12(10-11)17-15-13-8-3-4-9-14(13)23(20,21)18-15/h3-10H,2H2,1H3,(H,17,18)

InChI Key

KDPHPBJOJRAEKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03622523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.027

Distribution Coefficient, logD

3.011

Water Solubility, LogSw

-3.60

Polar Surface Area

71.598

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D257-0714 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D257-0714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D257-0714?
Check Price and Availability of D257-0714, 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 D257-0714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D257-0714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D257-0714
  • 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 D257-0714 available by request