K261-2858 Screening compound: 4-benzyl-3-[(3-methoxybenzyl)sulfanyl]-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

K261-2858 Screening compound: 4-benzyl-3-[(3-methoxybenzyl)sulfanyl]-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
K261-2858 Screening compound: 4-benzyl-3-[(3-methoxybenzyl)sulfanyl]-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2858
4-benzyl-3-[(3-methoxybenzyl)sulfanyl]-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

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

K261-2858

Molecular Formula

C22H20N2O3S2 (C22 H20 N2 O3 S2)

Compound Name

4-benzyl-3-[(3-methoxybenzyl)sulfanyl]-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

IUPAC name

4-benzyl-3-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1lambda624-benzothiadiazine-11-dione

SMILES

COc1cccc(CSC(N(Cc2ccccc2)c2c3cccc2)=NS3(=O)=O)c1

InChI

InChI=1S/C22H20N2O3S2/c1-27-19-11-7-10-18(14-19)16-28-22-23-29(25,26)21-13-6-5-12-20(21)24(22)15-17-8-3-2-4-9-17/h2-14H,15-16H2,1H3

InChI Key

OHUVPKAJDBUHEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.870

Distribution Coefficient, logD

4.870

Water Solubility, LogSw

-4.61

Polar Surface Area

51.257

Acid Dissociation Constant (pKa)

31.05

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

K261-2858 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K261-2858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2858?
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What is the minimum amount of K261-2858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2858
  • 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 K261-2858 available by request