L944-0617 Screening compound: 5-(3,4-difluorophenyl)-6-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

L944-0617 Screening compound: 5-(3,4-difluorophenyl)-6-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
L944-0617 Screening compound: 5-(3,4-difluorophenyl)-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 L944-0617
5-(3,4-difluorophenyl)-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

L944-0617

Molecular Formula

C21H14F2N6O3S (C21 H14 F2 N6 O3 S)

Compound Name

5-(3,4-difluorophenyl)-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-(34-difluorophenyl)-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(F)c3F)=Nc([nH]nc3)c3C2=O)n1

InChI

InChI=1S/C21H14F2N6O3S/c1-31-13-5-2-11(3-6-13)18-25-17(32-28-18)10-33-21-26-19-14(9-24-27-19)20(30)29(21)12-4-7-15(22)16(23)8-12/h2-9H,10H2,1H3,(H,24,27)

InChI Key

XWNGUFHRIWUIDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27488908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.44

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

4.105

Distribution Coefficient, logD

4.103

Water Solubility, LogSw

-4.21

Polar Surface Area

88.313

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

L944-0617 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • 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 L944-0617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L944-0617?
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What is the minimum amount of L944-0617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L944-0617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L944-0617
  • 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 L944-0617 available by request