5941-1312 Screening compound: 3-[3-(trifluoromethyl)anilino]-1H-1,2-benzisothiazole-1,1-dione

5941-1312 Screening compound: 3-[3-(trifluoromethyl)anilino]-1H-1,2-benzisothiazole-1,1-dione
5941-1312 Screening compound: 3-[3-(trifluoromethyl)anilino]-1H-1,2-benzisothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5941-1312
3-[3-(trifluoromethyl)anilino]-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

5941-1312

Molecular Formula

C14H9F3N2O2S (C14 H9 F3 N2 O2 S)

Compound Name

3-[3-(trifluoromethyl)anilino]-1H-1,2-benzisothiazole-1,1-dione

IUPAC name

3-{[3-(trifluoromethyl)phenyl]amino}-1lambda62-benzothiazole-11-dione

SMILES

O=S(c1c2cccc1)(N=C2Nc1cc(C(F)(F)F)ccc1)=O

InChI

InChI=1S/C14H9F3N2O2S/c15-14(16,17)9-4-3-5-10(8-9)18-13-11-6-1-2-7-12(11)22(20,21)19-13/h1-8H,(H,18,19)

InChI Key

QUTRTCPSUKCXOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03621835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.3

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

3.289

Distribution Coefficient, logD

2.732

Water Solubility, LogSw

-3.91

Polar Surface Area

50.844

Acid Dissociation Constant (pKa)

6.98

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

5941-1312 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5941-1312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5941-1312?
Check Price and Availability of 5941-1312, 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 5941-1312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5941-1312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5941-1312
  • 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 5941-1312 available by request