K261-1243 Screening compound: 4-[2-(5-bromo-2-thienyl)-2-oxoethyl]-2-(2,5-dimethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-1243 Screening compound: 4-[2-(5-bromo-2-thienyl)-2-oxoethyl]-2-(2,5-dimethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-1243 Screening compound: 4-[2-(5-bromo-2-thienyl)-2-oxoethyl]-2-(2,5-dimethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1243
4-[2-(5-bromo-2-thienyl)-2-oxoethyl]-2-(2,5-dimethylphenyl)-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

K261-1243

Molecular Formula

C21H17BrN2O4S2 (C21 H17 BrN2 O4 S2)

Compound Name

4-[2-(5-bromo-2-thienyl)-2-oxoethyl]-2-(2,5-dimethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

IUPAC name

4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-(25-dimethylphenyl)-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

Cc1cc(N(C(N(CC(c(s2)ccc2Br)=O)c2c3cccc2)=O)S3(=O)=O)c(C)cc1

InChI

InChI=1S/C21H17BrN2O4S2/c1-13-7-8-14(2)16(11-13)24-21(26)23(12-17(25)18-9-10-20(22)29-18)15-5-3-4-6-19(15)30(24,27)28/h3-11H,12H2,1-2H3

InChI Key

SVKPSVUKTLLWEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06745425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.444

Distribution Coefficient, logD

5.444

Water Solubility, LogSw

-5.27

Polar Surface Area

60.707

Acid Dissociation Constant (pKa)

18.94

Base Dissociation Constant (pKb)

-13.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

K261-1243 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Agro:
  • Agro
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K261-1243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1243?
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What is the minimum amount of K261-1243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1243
  • 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 K261-1243 available by request