L944-0029 Screening compound: 6-({[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

L944-0029 Screening compound: 6-({[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
L944-0029 Screening compound: 6-({[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L944-0029
6-({[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-phenyl-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

L944-0029

Molecular Formula

C20H12ClFN6O2S (C20 H12 ClFN6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C1N(c2ccccc2)C(SCc2nc(-c(cc3)cc(Cl)c3F)no2)=Nc2c1cn[nH]2

InChI

InChI=1S/C20H12ClFN6O2S/c21-14-8-11(6-7-15(14)22)17-24-16(30-27-17)10-31-20-25-18-13(9-23-26-18)19(29)28(20)12-4-2-1-3-5-12/h1-9H,10H2,(H,23,26)

InChI Key

XIFIWOHSBHBARK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22591029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.87

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.171

Distribution Coefficient, logD

4.169

Water Solubility, LogSw

-4.54

Polar Surface Area

80.769

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

4.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

L944-0029 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cancer
  • 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 L944-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L944-0029?
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What is the minimum amount of L944-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L944-0029
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L944-0029
  • 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 L944-0029 available by request