K261-2786 Screening compound: 4-(2-chloro-6-fluorobenzyl)-2-(2,5-difluorophenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-2786 Screening compound: 4-(2-chloro-6-fluorobenzyl)-2-(2,5-difluorophenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-2786 Screening compound: 4-(2-chloro-6-fluorobenzyl)-2-(2,5-difluorophenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2786
4-(2-chloro-6-fluorobenzyl)-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

K261-2786

Molecular Formula

C20H12ClF3N2O3S (C20 H12 ClF3 N2 O3 S)

Compound Name

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

IUPAC name

4-[(2-chloro-6-fluorophenyl)methyl]-2-(25-difluorophenyl)-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

O=C(N(Cc(c(F)ccc1)c1Cl)c1c2cccc1)N(c(cc(cc1)F)c1F)S2(=O)=O

InChI

InChI=1S/C20H12ClF3N2O3S/c21-14-4-3-5-15(23)13(14)11-25-17-6-1-2-7-19(17)30(28,29)26(20(25)27)18-10-12(22)8-9-16(18)24/h1-10H,11H2

InChI Key

YYALMVLDUUXURX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.84

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

4.898

Distribution Coefficient, logD

4.898

Water Solubility, LogSw

-4.96

Polar Surface Area

46.442

Acid Dissociation Constant (pKa)

27.85

Base Dissociation Constant (pKb)

-12.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

K261-2786 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic
Targets:
  • Others

References: we are preparing a list of scientific research reports with K261-2786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2786?
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What is the minimum amount of K261-2786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2786
  • 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 K261-2786 available by request