K261-1421 Screening compound: 2-(4-ethylphenyl)-4-(4-vinylbenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-1421 Screening compound: 2-(4-ethylphenyl)-4-(4-vinylbenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-1421 Screening compound: 2-(4-ethylphenyl)-4-(4-vinylbenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1421
2-(4-ethylphenyl)-4-(4-vinylbenzyl)-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

K261-1421

Molecular Formula

C24H22N2O3S (C24 H22 N2 O3 S)

Compound Name

2-(4-ethylphenyl)-4-(4-vinylbenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

IUPAC name

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

SMILES

CCc(cc1)ccc1N(C(N(Cc1ccc(C=C)cc1)c1c2cccc1)=O)S2(=O)=O

InChI

InChI=1S/C24H22N2O3S/c1-3-18-9-11-20(12-10-18)17-25-22-7-5-6-8-23(22)30(28,29)26(24(25)27)21-15-13-19(4-2)14-16-21/h3,5-16H,1,4,17H2,2H3

InChI Key

XJZBBPXMIJJFTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07654771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.780

Distribution Coefficient, logD

5.780

Water Solubility, LogSw

-5.49

Polar Surface Area

46.743

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-11.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

K261-1421 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

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 K261-1421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1421?
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What is the minimum amount of K261-1421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1421
  • 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 K261-1421 available by request