K261-0847 Screening compound: 4-(2-fluorobenzyl)-2-(4-methoxyphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-0847 Screening compound: 4-(2-fluorobenzyl)-2-(4-methoxyphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-0847 Screening compound: 4-(2-fluorobenzyl)-2-(4-methoxyphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-0847
4-(2-fluorobenzyl)-2-(4-methoxyphenyl)-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

K261-0847

Molecular Formula

C21H17FN2O4S (C21 H17 FN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N(C(N(Cc(cccc1)c1F)c1c2cccc1)=O)S2(=O)=O

InChI

InChI=1S/C21H17FN2O4S/c1-28-17-12-10-16(11-13-17)24-21(25)23(14-15-6-2-3-7-18(15)22)19-8-4-5-9-20(19)29(24,26)27/h2-13H,14H2,1H3

InChI Key

FCYXWMLVIIKMAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.377

Distribution Coefficient, logD

4.377

Water Solubility, LogSw

-4.28

Polar Surface Area

54.286

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

-10.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

K261-0847 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K261-0847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-0847?
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What is the minimum amount of K261-0847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-0847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-0847
  • 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 K261-0847 available by request