K261-2480 Screening compound: 3-{[2-(4-fluorophenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile

K261-2480 Screening compound: 3-{[2-(4-fluorophenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
K261-2480 Screening compound: 3-{[2-(4-fluorophenyl)-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 K261-2480
3-{[2-(4-fluorophenyl)-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

K261-2480

Molecular Formula

C21H14FN3O3S (C21 H14 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1cccc(CN(c(cccc2)c2S(N2c(cc3)ccc3F)(=O)=O)C2=O)c1

InChI

InChI=1S/C21H14FN3O3S/c22-17-8-10-18(11-9-17)25-21(26)24(14-16-5-3-4-15(12-16)13-23)19-6-1-2-7-20(19)29(25,27)28/h1-12H,14H2

InChI Key

DPRXYNQXGKTCKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.42

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

3.858

Distribution Coefficient, logD

3.858

Water Solubility, LogSw

-4.12

Polar Surface Area

63.799

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

K261-2480 in Drug Discovery

Included in Screening Libraries

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

RAR (Nuclear receptors) Ligands Library (6524 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 K261-2480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2480?
Check Price and Availability of K261-2480, 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 K261-2480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2480
  • 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 K261-2480 available by request