K261-2788 Screening compound: 2-(2,5-difluorophenyl)-4-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-2788 Screening compound: 2-(2,5-difluorophenyl)-4-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-2788 Screening compound: 2-(2,5-difluorophenyl)-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 K261-2788
2-(2,5-difluorophenyl)-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

K261-2788

Molecular Formula

C22H14F2N4O4S (C22 H14 F2 N4 O4 S)

Compound Name

2-(2,5-difluorophenyl)-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-(25-difluorophenyl)-4-({4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

O=C1N(C=CC=C2)C2=NC(CN(c(cccc2)c2S(N2c(cc(cc3)F)c3F)(=O)=O)C2=O)=C1

InChI

InChI=1S/C22H14F2N4O4S/c23-14-8-9-16(24)18(11-14)28-22(30)27(17-5-1-2-6-19(17)33(28,31)32)13-15-12-21(29)26-10-4-3-7-20(26)25-15/h1-12H,13H2

InChI Key

IPXASQWYCFFTIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09249711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.691

Distribution Coefficient, logD

2.691

Water Solubility, LogSw

-3.15

Polar Surface Area

72.428

Acid Dissociation Constant (pKa)

26.79

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

K261-2788 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 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:
  • Immune system
  • 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 K261-2788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2788?
Check Price and Availability of K261-2788, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K261-2788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2788
  • 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 K261-2788 available by request