K261-1867 Screening compound: 2-(4-acetylphenyl)-4-[3-(trifluoromethyl)benzyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-1867 Screening compound: 2-(4-acetylphenyl)-4-[3-(trifluoromethyl)benzyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-1867 Screening compound: 2-(4-acetylphenyl)-4-[3-(trifluoromethyl)benzyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1867
2-(4-acetylphenyl)-4-[3-(trifluoromethyl)benzyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

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

K261-1867

Molecular Formula

C23H17F3N2O4S (C23 H17 F3 N2 O4 S)

Compound Name

2-(4-acetylphenyl)-4-[3-(trifluoromethyl)benzyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

IUPAC name

2-(4-acetylphenyl)-4-{[3-(trifluoromethyl)phenyl]methyl}-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

CC(c(cc1)ccc1N(C(N(Cc1cc(C(F)(F)F)ccc1)c1c2cccc1)=O)S2(=O)=O)=O

InChI

InChI=1S/C23H17F3N2O4S/c1-15(29)17-9-11-19(12-10-17)28-22(30)27(20-7-2-3-8-21(20)33(28,31)32)14-16-5-4-6-18(13-16)23(24,25)26/h2-13H,14H2,1H3

InChI Key

DGADTBMUZHWJQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.554

Distribution Coefficient, logD

4.554

Water Solubility, LogSw

-4.40

Polar Surface Area

60.569

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

-11.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

K261-1867 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K261-1867 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1867?
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What is the minimum amount of K261-1867 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1867
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1867
  • 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 K261-1867 available by request