7380-0002 Screening compound: 3-(3-chloro-4-fluoroanilino)-1H-1,2-benzisothiazole-1,1-dione

7380-0002 Screening compound: 3-(3-chloro-4-fluoroanilino)-1H-1,2-benzisothiazole-1,1-dione
7380-0002 Screening compound: 3-(3-chloro-4-fluoroanilino)-1H-1,2-benzisothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7380-0002
3-(3-chloro-4-fluoroanilino)-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

7380-0002

Molecular Formula

C13H8ClFN2O2S (C13 H8 ClFN2 O2 S)

Compound Name

3-(3-chloro-4-fluoroanilino)-1H-1,2-benzisothiazole-1,1-dione

IUPAC name

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

SMILES

O=S(c1c2cccc1)(N=C2Nc(cc1)cc(Cl)c1F)=O

InChI

InChI=1S/C13H8ClFN2O2S/c14-10-7-8(5-6-11(10)15)16-13-9-3-1-2-4-12(9)20(18,19)17-13/h1-7H,(H,16,17)

InChI Key

FDROPICWSBAAEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06624047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.74

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.976

Distribution Coefficient, logD

1.280

Water Solubility, LogSw

-3.83

Polar Surface Area

50.844

Acid Dissociation Constant (pKa)

5.71

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

7380-0002 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7380-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7380-0002?
Check Price and Availability of 7380-0002, 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 7380-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7380-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7380-0002
  • 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 7380-0002 available by request