K261-0986 Screening compound: 2-(3,5-dimethylphenyl)-4-(3-fluorobenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-0986 Screening compound: 2-(3,5-dimethylphenyl)-4-(3-fluorobenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-0986 Screening compound: 2-(3,5-dimethylphenyl)-4-(3-fluorobenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-0986
2-(3,5-dimethylphenyl)-4-(3-fluorobenzyl)-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

K261-0986

Molecular Formula

C22H19FN2O3S (C22 H19 FN2 O3 S)

Compound Name

2-(3,5-dimethylphenyl)-4-(3-fluorobenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

IUPAC name

2-(35-dimethylphenyl)-4-[(3-fluorophenyl)methyl]-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

Cc1cc(N(C(N(Cc2cc(F)ccc2)c2c3cccc2)=O)S3(=O)=O)cc(C)c1

InChI

InChI=1S/C22H19FN2O3S/c1-15-10-16(2)12-19(11-15)25-22(26)24(14-17-6-5-7-18(23)13-17)20-8-3-4-9-21(20)29(25,27)28/h3-13H,14H2,1-2H3

InChI Key

WOTVWKCNUBAUNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06404742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.349

Distribution Coefficient, logD

5.349

Water Solubility, LogSw

-5.27

Polar Surface Area

46.743

Acid Dissociation Constant (pKa)

27.85

Base Dissociation Constant (pKb)

-11.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

K261-0986 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K261-0986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-0986?
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What is the minimum amount of K261-0986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-0986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-0986
  • 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 K261-0986 available by request