K261-0899 Screening compound: 4-(2-methylbenzyl)-2-phenyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-0899 Screening compound: 4-(2-methylbenzyl)-2-phenyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-0899 Screening compound: 4-(2-methylbenzyl)-2-phenyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-0899
4-(2-methylbenzyl)-2-phenyl-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

K261-0899

Molecular Formula

C21H18N2O3S (C21 H18 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CN(c(cccc2)c2S(N2c3ccccc3)(=O)=O)C2=O)cccc1

InChI

InChI=1S/C21H18N2O3S/c1-16-9-5-6-10-17(16)15-22-19-13-7-8-14-20(19)27(25,26)23(21(22)24)18-11-3-2-4-12-18/h2-14H,15H2,1H3

InChI Key

YLHDWFAXUIZKKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06404582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.752

Distribution Coefficient, logD

4.752

Water Solubility, LogSw

-4.44

Polar Surface Area

46.743

Acid Dissociation Constant (pKa)

27.88

Base Dissociation Constant (pKb)

-10.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

K261-0899 in Drug Discovery

Included in Screening Libraries

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

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K261-0899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-0899?
Check Price and Availability of K261-0899, 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 K261-0899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-0899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-0899
  • 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 K261-0899 available by request