K261-1326 Screening compound: 2-(3-methoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate

K261-1326 Screening compound: 2-(3-methoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate
K261-1326 Screening compound: 2-(3-methoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1326
2-(3-methoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate

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

K261-1326

Molecular Formula

C20H21N3O6S (C20 H21 N3 O6 S)

Compound Name

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

IUPAC name

[(3-methoxyphenyl)carbamoyl]methyl 4-(11-dioxo-4H-1lambda624-benzothiadiazin-3-yl)butanoate

SMILES

COc1cccc(NC(COC(CCCC(Nc2c3cccc2)=NS3(=O)=O)=O)=O)c1

InChI

InChI=1S/C20H21N3O6S/c1-28-15-7-4-6-14(12-15)21-19(24)13-29-20(25)11-5-10-18-22-16-8-2-3-9-17(16)30(26,27)23-18/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,24)(H,22,23)

InChI Key

JHKMYNOYRPCPCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06744775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.47

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

1.849

Distribution Coefficient, logD

1.848

Water Solubility, LogSw

-2.59

Polar Surface Area

104.332

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K261-1326 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 K261-1326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1326?
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What is the minimum amount of K261-1326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1326
  • 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 K261-1326 available by request