K261-1426 Screening compound: 2-(5-chloro-2-methoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoate

K261-1426 Screening compound: 2-(5-chloro-2-methoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoate
K261-1426 Screening compound: 2-(5-chloro-2-methoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1426
2-(5-chloro-2-methoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoate

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

K261-1426

Molecular Formula

C22H24ClN3O6S (C22 H24 ClN3 O6 S)

Compound Name

2-(5-chloro-2-methoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoate

IUPAC name

[(5-chloro-2-methoxyphenyl)carbamoyl]methyl 4-(11-dioxo-2H-1lambda624-benzothiadiazin-3-yl)-33-dimethylbutanoate

SMILES

CC(C)(CC(OCC(Nc(cc(cc1)Cl)c1OC)=O)=O)CC(N1)=Nc(cccc2)c2S1(=O)=O

InChI

InChI=1S/C22H24ClN3O6S/c1-22(2,11-19-24-15-6-4-5-7-18(15)33(29,30)26-19)12-21(28)32-13-20(27)25-16-10-14(23)8-9-17(16)31-3/h4-10H,11-13H2,1-3H3,(H,24,26)(H,25,27)

InChI Key

XNARIDBXBCCHPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.97

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.557

Distribution Coefficient, logD

1.983

Water Solubility, LogSw

-3.38

Polar Surface Area

101.240

Acid Dissociation Constant (pKa)

6.96

Base Dissociation Constant (pKb)

5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

K261-1426 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 K261-1426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1426?
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What is the minimum amount of K261-1426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1426
  • 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 K261-1426 available by request