K261-2918 Screening compound: 4-(4-fluorobenzyl)-2-[3-(methylsulfanyl)phenyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-2918 Screening compound: 4-(4-fluorobenzyl)-2-[3-(methylsulfanyl)phenyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-2918 Screening compound: 4-(4-fluorobenzyl)-2-[3-(methylsulfanyl)phenyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2918
4-(4-fluorobenzyl)-2-[3-(methylsulfanyl)phenyl]-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

K261-2918

Molecular Formula

C21H17FN2O3S2 (C21 H17 FN2 O3 S2)

Compound Name

4-(4-fluorobenzyl)-2-[3-(methylsulfanyl)phenyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

IUPAC name

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

SMILES

CSc1cccc(N(C(N(Cc(cc2)ccc2F)c2c3cccc2)=O)S3(=O)=O)c1

InChI

InChI=1S/C21H17FN2O3S2/c1-28-18-6-4-5-17(13-18)24-21(25)23(14-15-9-11-16(22)12-10-15)19-7-2-3-8-20(19)29(24,26)27/h2-13H,14H2,1H3

InChI Key

ZHWLYAWCWSHAJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09980596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.690

Distribution Coefficient, logD

4.690

Water Solubility, LogSw

-4.41

Polar Surface Area

46.743

Acid Dissociation Constant (pKa)

27.78

Base Dissociation Constant (pKb)

-11.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with K261-2918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2918?
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What is the minimum amount of K261-2918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2918
  • 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 K261-2918 available by request