K261-1097 Screening compound: 2-(3,5-dimethoxyphenyl)-4-(3-methoxybenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-1097 Screening compound: 2-(3,5-dimethoxyphenyl)-4-(3-methoxybenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-1097 Screening compound: 2-(3,5-dimethoxyphenyl)-4-(3-methoxybenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1097
2-(3,5-dimethoxyphenyl)-4-(3-methoxybenzyl)-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

K261-1097

Molecular Formula

C23H22N2O6S (C23 H22 N2 O6 S)

Compound Name

2-(3,5-dimethoxyphenyl)-4-(3-methoxybenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

IUPAC name

2-(35-dimethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

COc1cccc(CN(c(cccc2)c2S(N2c3cc(OC)cc(OC)c3)(=O)=O)C2=O)c1

InChI

InChI=1S/C23H22N2O6S/c1-29-18-8-6-7-16(11-18)15-24-21-9-4-5-10-22(21)32(27,28)25(23(24)26)17-12-19(30-2)14-20(13-17)31-3/h4-14H,15H2,1-3H3

InChI Key

CLUAQXDECSJZMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08141103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.646

Distribution Coefficient, logD

4.646

Water Solubility, LogSw

-4.42

Polar Surface Area

69.374

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

-9.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

K261-1097 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with K261-1097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1097?
Check Price and Availability of K261-1097, 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 K261-1097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1097
  • 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 K261-1097 available by request