K261-2424 Screening compound: 4-(3-bromobenzyl)-2-(3-fluoro-4-methylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-2424 Screening compound: 4-(3-bromobenzyl)-2-(3-fluoro-4-methylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-2424 Screening compound: 4-(3-bromobenzyl)-2-(3-fluoro-4-methylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2424
4-(3-bromobenzyl)-2-(3-fluoro-4-methylphenyl)-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

K261-2424

Molecular Formula

C21H16BrFN2O3S (C21 H16 BrFN2 O3 S)

Compound Name

4-(3-bromobenzyl)-2-(3-fluoro-4-methylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

IUPAC name

4-[(3-bromophenyl)methyl]-2-(3-fluoro-4-methylphenyl)-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

Cc(ccc(N(C(N(Cc1cccc(Br)c1)c1c2cccc1)=O)S2(=O)=O)c1)c1F

InChI

InChI=1S/C21H16BrFN2O3S/c1-14-9-10-17(12-18(14)23)25-21(26)24(13-15-5-4-6-16(22)11-15)19-7-2-3-8-20(19)29(25,27)28/h2-12H,13H2,1H3

InChI Key

BWNJKOYCDLMEEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08569276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.605

Distribution Coefficient, logD

5.605

Water Solubility, LogSw

-5.35

Polar Surface Area

46.743

Acid Dissociation Constant (pKa)

27.85

Base Dissociation Constant (pKb)

-10.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with K261-2424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2424?
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What is the minimum amount of K261-2424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2424
  • 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 K261-2424 available by request