8006-6511 Screening compound: 3-(2-isopropylanilino)-1H-1,2-benzisothiazole-1,1-dione

8006-6511 Screening compound: 3-(2-isopropylanilino)-1H-1,2-benzisothiazole-1,1-dione
8006-6511 Screening compound: 3-(2-isopropylanilino)-1H-1,2-benzisothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-6511
3-(2-isopropylanilino)-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

8006-6511

Molecular Formula

C16H16N2O2S (C16 H16 N2 O2 S)

Compound Name

3-(2-isopropylanilino)-1H-1,2-benzisothiazole-1,1-dione

IUPAC name

3-{[2-(propan-2-yl)phenyl]amino}-1lambda62-benzothiazole-11-dione

SMILES

CC(C)c(cccc1)c1NC(c1c2cccc1)=NS2(=O)=O

InChI

InChI=1S/C16H16N2O2S/c1-11(2)12-7-3-5-9-14(12)17-16-13-8-4-6-10-15(13)21(19,20)18-16/h3-11H,1-2H3,(H,17,18)

InChI Key

IRBVEFKJIORZMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00486255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.112

Distribution Coefficient, logD

3.111

Water Solubility, LogSw

-3.63

Polar Surface Area

50.147

Acid Dissociation Constant (pKa)

10.05

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8006-6511 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8006-6511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-6511?
Check Price and Availability of 8006-6511, 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 8006-6511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-6511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-6511
  • 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 8006-6511 available by request