K261-1350 Screening compound: 2-(2-methoxyphenyl)-4-(3-methylbenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-1350 Screening compound: 2-(2-methoxyphenyl)-4-(3-methylbenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-1350 Screening compound: 2-(2-methoxyphenyl)-4-(3-methylbenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1350
2-(2-methoxyphenyl)-4-(3-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

K261-1350

Molecular Formula

C22H20N2O4S (C22 H20 N2 O4 S)

Compound Name

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

IUPAC name

2-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

Cc1cccc(CN(c(cccc2)c2S(N2c(cccc3)c3OC)(=O)=O)C2=O)c1

InChI

InChI=1S/C22H20N2O4S/c1-16-8-7-9-17(14-16)15-23-19-11-4-6-13-21(19)29(26,27)24(22(23)25)18-10-3-5-12-20(18)28-2/h3-14H,15H2,1-2H3

InChI Key

SDCBNFGMICZSDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11994543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.687

Distribution Coefficient, logD

4.687

Water Solubility, LogSw

-4.45

Polar Surface Area

54.072

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

-10.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

K261-1350 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K261-1350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1350?
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What is the minimum amount of K261-1350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1350
  • 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 K261-1350 available by request