D257-0705 Screening compound: methyl 3-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]benzoate

D257-0705 Screening compound: methyl 3-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]benzoate
D257-0705 Screening compound: methyl 3-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D257-0705
methyl 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

D257-0705

Molecular Formula

C15H12N2O4S (C15 H12 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C15H12N2O4S/c1-21-15(18)10-5-4-6-11(9-10)16-14-12-7-2-3-8-13(12)22(19,20)17-14/h2-9H,1H3,(H,16,17)

InChI Key

IMTJHKSCOZHINM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03622488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.517

Distribution Coefficient, logD

2.500

Water Solubility, LogSw

-3.12

Polar Surface Area

72.018

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

D257-0705 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)

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 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
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D257-0705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D257-0705?
Check Price and Availability of D257-0705, 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 D257-0705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D257-0705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D257-0705
  • 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 D257-0705 available by request