K261-1828 Screening compound: 2-(3-methoxyphenyl)-4-[3-(trifluoromethyl)benzyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-1828 Screening compound: 2-(3-methoxyphenyl)-4-[3-(trifluoromethyl)benzyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-1828 Screening compound: 2-(3-methoxyphenyl)-4-[3-(trifluoromethyl)benzyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1828
2-(3-methoxyphenyl)-4-[3-(trifluoromethyl)benzyl]-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

K261-1828

Molecular Formula

C22H17F3N2O4S (C22 H17 F3 N2 O4 S)

Compound Name

2-(3-methoxyphenyl)-4-[3-(trifluoromethyl)benzyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

IUPAC name

2-(3-methoxyphenyl)-4-{[3-(trifluoromethyl)phenyl]methyl}-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

COc1cccc(N(C(N(Cc2cc(C(F)(F)F)ccc2)c2c3cccc2)=O)S3(=O)=O)c1

InChI

InChI=1S/C22H17F3N2O4S/c1-31-18-9-5-8-17(13-18)27-21(28)26(19-10-2-3-11-20(19)32(27,29)30)14-15-6-4-7-16(12-15)22(23,24)25/h2-13H,14H2,1H3

InChI Key

RDELVTBCJLZRPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.45

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

5.154

Distribution Coefficient, logD

5.154

Water Solubility, LogSw

-5.09

Polar Surface Area

54.286

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

-11.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.64

References: we are preparing a list of scientific research reports with K261-1828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1828?
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What is the minimum amount of K261-1828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1828
  • 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 K261-1828 available by request