K261-2864 Screening compound: 4-(2-chlorobenzyl)-2-(3-ethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-2864 Screening compound: 4-(2-chlorobenzyl)-2-(3-ethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-2864 Screening compound: 4-(2-chlorobenzyl)-2-(3-ethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2864
4-(2-chlorobenzyl)-2-(3-ethylphenyl)-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

K261-2864

Molecular Formula

C22H19ClN2O3S (C22 H19 ClN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCc1cccc(N(C(N(Cc(cccc2)c2Cl)c2c3cccc2)=O)S3(=O)=O)c1

InChI

InChI=1S/C22H19ClN2O3S/c1-2-16-8-7-10-18(14-16)25-22(26)24(15-17-9-3-4-11-19(17)23)20-12-5-6-13-21(20)29(25,27)28/h3-14H,2,15H2,1H3

InChI Key

WKWQEBOMKKLCQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.606

Distribution Coefficient, logD

5.606

Water Solubility, LogSw

-5.82

Polar Surface Area

46.743

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-11.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with K261-2864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2864?
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What is the minimum amount of K261-2864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2864
  • 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 K261-2864 available by request