K261-1591 Screening compound: 2-benzyl-4-(2-methylbenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-1591 Screening compound: 2-benzyl-4-(2-methylbenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-1591 Screening compound: 2-benzyl-4-(2-methylbenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1591
2-benzyl-4-(2-methylbenzyl)-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

K261-1591

Molecular Formula

C22H20N2O3S (C22 H20 N2 O3 S)

Compound Name

2-benzyl-4-(2-methylbenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

IUPAC name

2-benzyl-4-[(2-methylphenyl)methyl]-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

Cc1c(CN(c(cccc2)c2S(N2Cc3ccccc3)(=O)=O)C2=O)cccc1

InChI

InChI=1S/C22H20N2O3S/c1-17-9-5-6-12-19(17)16-23-20-13-7-8-14-21(20)28(26,27)24(22(23)25)15-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3

InChI Key

TZWAIGMKNVURAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11995538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.792

Distribution Coefficient, logD

4.792

Water Solubility, LogSw

-4.52

Polar Surface Area

46.959

Acid Dissociation Constant (pKa)

26.40

Base Dissociation Constant (pKb)

-10.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

K261-1591 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 K261-1591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1591?
Check Price and Availability of K261-1591, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K261-1591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1591
  • 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 K261-1591 available by request