L944-0469 Screening compound: 5-(3-chloro-4-methoxyphenyl)-6-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

L944-0469 Screening compound: 5-(3-chloro-4-methoxyphenyl)-6-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
L944-0469 Screening compound: 5-(3-chloro-4-methoxyphenyl)-6-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L944-0469
5-(3-chloro-4-methoxyphenyl)-6-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-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

L944-0469

Molecular Formula

C22H17ClN6O4S (C22 H17 ClN6 O4 S)

Compound Name

5-(3-chloro-4-methoxyphenyl)-6-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

IUPAC name

5-(3-chloro-4-methoxyphenyl)-6-({[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]methyl}sulfanyl)-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

COc(cc1)ccc1-c1noc(CSC(N2c(cc3)cc(Cl)c3OC)=Nc([nH]nc3)c3C2=O)n1

InChI

InChI=1S/C22H17ClN6O4S/c1-31-14-6-3-12(4-7-14)19-25-18(33-28-19)11-34-22-26-20-15(10-24-27-20)21(30)29(22)13-5-8-17(32-2)16(23)9-13/h3-10H,11H2,1-2H3,(H,24,27)

InChI Key

LJPODRPHDGDNRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27488905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.93

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.112

Distribution Coefficient, logD

4.110

Water Solubility, LogSw

-4.53

Polar Surface Area

95.944

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

L944-0469 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

ACE2 Library (3043 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

CORONAVIRUS Library (20774 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with L944-0469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L944-0469?
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What is the minimum amount of L944-0469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L944-0469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L944-0469
  • 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 L944-0469 available by request