K261-2782 Screening compound: 4-(2-chlorobenzyl)-2-(2,5-difluorophenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-2782 Screening compound: 4-(2-chlorobenzyl)-2-(2,5-difluorophenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-2782 Screening compound: 4-(2-chlorobenzyl)-2-(2,5-difluorophenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2782
4-(2-chlorobenzyl)-2-(2,5-difluorophenyl)-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

K261-2782

Molecular Formula

C20H13ClF2N2O3S (C20 H13 ClF2 N2 O3 S)

Compound Name

4-(2-chlorobenzyl)-2-(2,5-difluorophenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

IUPAC name

4-[(2-chlorophenyl)methyl]-2-(25-difluorophenyl)-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

O=C(N(Cc(cccc1)c1Cl)c1c2cccc1)N(c(cc(cc1)F)c1F)S2(=O)=O

InChI

InChI=1S/C20H13ClF2N2O3S/c21-15-6-2-1-5-13(15)12-24-17-7-3-4-8-19(17)29(27,28)25(20(24)26)18-11-14(22)9-10-16(18)23/h1-11H,12H2

InChI Key

OQZUJONKYZHYAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09249707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.85

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

4.906

Distribution Coefficient, logD

4.906

Water Solubility, LogSw

-4.97

Polar Surface Area

46.442

Acid Dissociation Constant (pKa)

27.85

Base Dissociation Constant (pKb)

-11.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

K261-2782 in Drug Discovery

Included in Screening Libraries

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 K261-2782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2782?
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What is the minimum amount of K261-2782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2782
  • 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 K261-2782 available by request