L944-0464 Screening compound: 5-(3-chloro-4-methoxyphenyl)-6-({[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

L944-0464 Screening compound: 5-(3-chloro-4-methoxyphenyl)-6-({[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
L944-0464 Screening compound: 5-(3-chloro-4-methoxyphenyl)-6-({[3-(3-methylphenyl)-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 L944-0464
5-(3-chloro-4-methoxyphenyl)-6-({[3-(3-methylphenyl)-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

L944-0464

Molecular Formula

C22H17ClN6O3S (C22 H17 ClN6 O3 S)

Compound Name

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

SMILES

Cc1cccc(-c2noc(CSC(N3c(cc4)cc(Cl)c4OC)=Nc([nH]nc4)c4C3=O)n2)c1

InChI

InChI=1S/C22H17ClN6O3S/c1-12-4-3-5-13(8-12)19-25-18(32-28-19)11-33-22-26-20-15(10-24-27-20)21(30)29(22)14-6-7-17(31-2)16(23)9-14/h3-10H,11H2,1-2H3,(H,24,27)

InChI Key

CQMMDSDSNJBOBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22591032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.499

Distribution Coefficient, logD

4.497

Water Solubility, LogSw

-4.67

Polar Surface Area

88.400

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

L944-0464 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L944-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L944-0464?
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What is the minimum amount of L944-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L944-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L944-0464
  • 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 L944-0464 available by request