L944-0020 Screening compound: 5-phenyl-6-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

L944-0020 Screening compound: 5-phenyl-6-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
L944-0020 Screening compound: 5-phenyl-6-[({3-[3-(trifluoromethyl)phenyl]-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 L944-0020
5-phenyl-6-[({3-[3-(trifluoromethyl)phenyl]-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

L944-0020

Molecular Formula

C21H13F3N6O2S (C21 H13 F3 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C1N(c2ccccc2)C(SCc2nc(-c3cc(C(F)(F)F)ccc3)no2)=Nc2c1cn[nH]2

InChI

InChI=1S/C21H13F3N6O2S/c22-21(23,24)13-6-4-5-12(9-13)17-26-16(32-29-17)11-33-20-27-18-15(10-25-28-18)19(31)30(20)14-7-2-1-3-8-14/h1-10H,11H2,(H,25,28)

InChI Key

WCAHOUTYKGYFNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22591024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.434

Distribution Coefficient, logD

4.432

Water Solubility, LogSw

-4.36

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

9.50

L944-0020 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L944-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L944-0020?
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What is the minimum amount of L944-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L944-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L944-0020
  • 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 L944-0020 available by request