K261-2145 Screening compound: 2-(4-methoxybenzyl)-4-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-2145 Screening compound: 2-(4-methoxybenzyl)-4-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-2145 Screening compound: 2-(4-methoxybenzyl)-4-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2145
2-(4-methoxybenzyl)-4-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-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

K261-2145

Molecular Formula

C24H20N4O5S (C24 H20 N4 O5 S)

Compound Name

2-(4-methoxybenzyl)-4-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

IUPAC name

2-[(4-methoxyphenyl)methyl]-4-({4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

COc1ccc(CN(C(N(CC(N=C2N3C=CC=C2)=CC3=O)c2c3cccc2)=O)S3(=O)=O)cc1

InChI

InChI=1S/C24H20N4O5S/c1-33-19-11-9-17(10-12-19)15-28-24(30)27(20-6-2-3-7-21(20)34(28,31)32)16-18-14-23(29)26-13-5-4-8-22(26)25-18/h2-14H,15-16H2,1H3

InChI Key

SVHNKEYLEJRHLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.425

Distribution Coefficient, logD

2.425

Water Solubility, LogSw

-2.66

Polar Surface Area

80.490

Acid Dissociation Constant (pKa)

26.40

Base Dissociation Constant (pKb)

2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

K261-2145 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 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:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K261-2145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2145?
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What is the minimum amount of K261-2145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2145
  • 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 K261-2145 available by request