K784-2031 Screening compound: 5-(2-chlorophenyl)-6-[({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

K784-2031 Screening compound: 5-(2-chlorophenyl)-6-[({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
K784-2031 Screening compound: 5-(2-chlorophenyl)-6-[({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-2031
5-(2-chlorophenyl)-6-[({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

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

K784-2031

Molecular Formula

C21H15ClN6O2S (C21 H15 ClN6 O2 S)

Compound Name

5-(2-chlorophenyl)-6-[({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

IUPAC name

5-(2-chlorophenyl)-6-[({6-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)sulfanyl]-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

CC(N12)=CC=CC2=NC(CSC(N2c(cccc3)c3Cl)=Nc([nH]nc3)c3C2=O)=CC1=O

InChI

InChI=1S/C21H15ClN6O2S/c1-12-5-4-8-17-24-13(9-18(29)27(12)17)11-31-21-25-19-14(10-23-26-19)20(30)28(21)16-7-3-2-6-15(16)22/h2-10H,11H2,1H3,(H,23,26)

InChI Key

IDZSBWBNJJKNPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05027910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.497

Distribution Coefficient, logD

2.496

Water Solubility, LogSw

-3.43

Polar Surface Area

74.777

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

K784-2031 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K784-2031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-2031?
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What is the minimum amount of K784-2031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-2031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-2031
  • 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 K784-2031 available by request