K261-1574 Screening compound: 2-(4-fluorobenzyl)-4-(2-methylbenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-1574 Screening compound: 2-(4-fluorobenzyl)-4-(2-methylbenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-1574 Screening compound: 2-(4-fluorobenzyl)-4-(2-methylbenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1574
2-(4-fluorobenzyl)-4-(2-methylbenzyl)-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

K261-1574

Molecular Formula

C22H19FN2O3S (C22 H19 FN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CN(c(cccc2)c2S(N2Cc(cc3)ccc3F)(=O)=O)C2=O)cccc1

InChI

InChI=1S/C22H19FN2O3S/c1-16-6-2-3-7-18(16)15-24-20-8-4-5-9-21(20)29(27,28)25(22(24)26)14-17-10-12-19(23)13-11-17/h2-13H,14-15H2,1H3

InChI Key

DGUKNEBNGKKHHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11995537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.47

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

4.821

Distribution Coefficient, logD

4.821

Water Solubility, LogSw

-4.51

Polar Surface Area

46.959

Acid Dissociation Constant (pKa)

25.93

Base Dissociation Constant (pKb)

-10.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with K261-1574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1574?
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What is the minimum amount of K261-1574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1574
  • 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 K261-1574 available by request