6291-0861 Screening compound: 3-[4-CHLORO-3-(TRIFLUOROMETHYL)ANILINO]-1H-1,2-BENZISOTHIAZOLE-1,1-DIONE

6291-0861 Screening compound: 3-[4-CHLORO-3-(TRIFLUOROMETHYL)ANILINO]-1H-1,2-BENZISOTHIAZOLE-1,1-DIONE
6291-0861 Screening compound: 3-[4-CHLORO-3-(TRIFLUOROMETHYL)ANILINO]-1H-1,2-BENZISOTHIAZOLE-1,1-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 6291-0861
3-[4-CHLORO-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

6291-0861

Molecular Formula

C14H8ClF3N2O2S (C14 H8 ClF3 N2 O2 S)

Compound Name

3-[4-CHLORO-3-(TRIFLUOROMETHYL)ANILINO]-1H-1,2-BENZISOTHIAZOLE-1,1-DIONE

IUPAC name

3-{[4-chloro-3-(trifluoromethyl)phenyl]amino}-1lambda62-benzothiazole-11-dione

SMILES

O=S(c1c2cccc1)(N=C2Nc(cc1)cc(C(F)(F)F)c1Cl)=O

InChI

InChI=1S/C14H8ClF3N2O2S/c15-11-6-5-8(7-10(11)14(16,17)18)19-13-9-3-1-2-4-12(9)23(21,22)20-13/h1-7H,(H,19,20)

InChI Key

VZSAMVLNJPSBSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03622479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.74

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

3.853

Distribution Coefficient, logD

1.637

Water Solubility, LogSw

-4.46

Polar Surface Area

50.844

Acid Dissociation Constant (pKa)

5.19

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

6291-0861 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)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6291-0861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6291-0861?
Check Price and Availability of 6291-0861, 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 6291-0861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6291-0861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6291-0861
  • 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 6291-0861 available by request