K261-2242 Screening compound: 4-(2-chloro-4-fluorobenzyl)-2-(4-ethoxyphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-2242 Screening compound: 4-(2-chloro-4-fluorobenzyl)-2-(4-ethoxyphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-2242 Screening compound: 4-(2-chloro-4-fluorobenzyl)-2-(4-ethoxyphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2242
4-(2-chloro-4-fluorobenzyl)-2-(4-ethoxyphenyl)-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

K261-2242

Molecular Formula

C22H18ClFN2O4S (C22 H18 ClFN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1N(C(N(Cc(ccc(F)c1)c1Cl)c1c2cccc1)=O)S2(=O)=O

InChI

InChI=1S/C22H18ClFN2O4S/c1-2-30-18-11-9-17(10-12-18)26-22(27)25(14-15-7-8-16(24)13-19(15)23)20-5-3-4-6-21(20)31(26,28)29/h3-13H,2,14H2,1H3

InChI Key

FDJYHSFGWXFFJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08141110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.348

Distribution Coefficient, logD

5.348

Water Solubility, LogSw

-5.76

Polar Surface Area

53.866

Acid Dissociation Constant (pKa)

27.78

Base Dissociation Constant (pKb)

-11.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with K261-2242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2242?
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What is the minimum amount of K261-2242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2242
  • 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 K261-2242 available by request