K261-1446 Screening compound: 4-(3,3-dimethyl-2-oxobutyl)-2-(2,3-dimethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-1446 Screening compound: 4-(3,3-dimethyl-2-oxobutyl)-2-(2,3-dimethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-1446 Screening compound: 4-(3,3-dimethyl-2-oxobutyl)-2-(2,3-dimethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1446
4-(3,3-dimethyl-2-oxobutyl)-2-(2,3-dimethylphenyl)-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

K261-1446

Molecular Formula

C21H24N2O4S (C21 H24 N2 O4 S)

Compound Name

4-(3,3-dimethyl-2-oxobutyl)-2-(2,3-dimethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

IUPAC name

4-(33-dimethyl-2-oxobutyl)-2-(23-dimethylphenyl)-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

CC(C)(C)C(CN(c(cccc1)c1S(N1c2c(C)c(C)ccc2)(=O)=O)C1=O)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.454

Distribution Coefficient, logD

4.454

Water Solubility, LogSw

-4.32

Polar Surface Area

59.960

Acid Dissociation Constant (pKa)

21.36

Base Dissociation Constant (pKb)

-11.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K261-1446 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K261-1446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1446?
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What is the minimum amount of K261-1446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1446
  • 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 K261-1446 available by request