K261-1831 Screening compound: 4-{[2-(3-methoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile

K261-1831 Screening compound: 4-{[2-(3-methoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
K261-1831 Screening compound: 4-{[2-(3-methoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1831
4-{[2-(3-methoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile

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

K261-1831

Molecular Formula

C22H17N3O4S (C22 H17 N3 O4 S)

Compound Name

4-{[2-(3-methoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile

IUPAC name

4-{[2-(3-methoxyphenyl)-113-trioxo-34-dihydro-2H-1lambda624-benzothiadiazin-4-yl]methyl}benzonitrile

SMILES

COc1cccc(N(C(N(Cc(cc2)ccc2C#N)c2c3cccc2)=O)S3(=O)=O)c1

InChI

InChI=1S/C22H17N3O4S/c1-29-19-6-4-5-18(13-19)25-22(26)24(15-17-11-9-16(14-23)10-12-17)20-7-2-3-8-21(20)30(25,27)28/h2-13H,15H2,1H3

InChI Key

JZHWTCFUVDPLOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07656205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.051

Distribution Coefficient, logD

4.051

Water Solubility, LogSw

-4.21

Polar Surface Area

71.343

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

K261-1831 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K261-1831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1831?
Check Price and Availability of K261-1831, 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 K261-1831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1831
  • 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 K261-1831 available by request