K261-0826 Screening compound: 2-(4-chlorophenyl)-4-(3-fluorobenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-0826 Screening compound: 2-(4-chlorophenyl)-4-(3-fluorobenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-0826 Screening compound: 2-(4-chlorophenyl)-4-(3-fluorobenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-0826
2-(4-chlorophenyl)-4-(3-fluorobenzyl)-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

K261-0826

Molecular Formula

C20H14ClFN2O3S (C20 H14 ClFN2 O3 S)

Compound Name

2-(4-chlorophenyl)-4-(3-fluorobenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

IUPAC name

2-(4-chlorophenyl)-4-[(3-fluorophenyl)methyl]-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

O=C(N(Cc1cc(F)ccc1)c1c2cccc1)N(c(cc1)ccc1Cl)S2(=O)=O

InChI

InChI=1S/C20H14ClFN2O3S/c21-15-8-10-17(11-9-15)24-20(25)23(13-14-4-3-5-16(22)12-14)18-6-1-2-7-19(18)28(24,26)27/h1-12H,13H2

InChI Key

DDHDGOKVRGVBBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.86

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

4.972

Distribution Coefficient, logD

4.972

Water Solubility, LogSw

-5.08

Polar Surface Area

46.743

Acid Dissociation Constant (pKa)

27.85

Base Dissociation Constant (pKb)

-10.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

K261-0826 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K261-0826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-0826?
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What is the minimum amount of K261-0826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-0826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-0826
  • 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 K261-0826 available by request