K261-1912 Screening compound: 4-(2,5-dimethylbenzyl)-2-(3-methylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-1912 Screening compound: 4-(2,5-dimethylbenzyl)-2-(3-methylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-1912 Screening compound: 4-(2,5-dimethylbenzyl)-2-(3-methylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1912
4-(2,5-dimethylbenzyl)-2-(3-methylphenyl)-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

K261-1912

Molecular Formula

C23H22N2O3S (C23 H22 N2 O3 S)

Compound Name

4-(2,5-dimethylbenzyl)-2-(3-methylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

IUPAC name

4-[(25-dimethylphenyl)methyl]-2-(3-methylphenyl)-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

Cc1cccc(N(C(N(Cc2c(C)ccc(C)c2)c2c3cccc2)=O)S3(=O)=O)c1

InChI

InChI=1S/C23H22N2O3S/c1-16-7-6-8-20(14-16)25-23(26)24(15-19-13-17(2)11-12-18(19)3)21-9-4-5-10-22(21)29(25,27)28/h4-14H,15H2,1-3H3

InChI Key

VWXPFHDISGJPJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.51

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

5.778

Distribution Coefficient, logD

5.778

Water Solubility, LogSw

-5.42

Polar Surface Area

46.743

Acid Dissociation Constant (pKa)

27.88

Base Dissociation Constant (pKb)

-11.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with K261-1912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1912?
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What is the minimum amount of K261-1912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1912
  • 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 K261-1912 available by request