L944-0016 Screening compound: 6-({[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

L944-0016 Screening compound: 6-({[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
L944-0016 Screening compound: 6-({[3-(4-ethylphenyl)-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 L944-0016
6-({[3-(4-ethylphenyl)-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

L944-0016

Molecular Formula

C22H18N6O2S (C22 H18 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1-c1noc(CSC(N2c3ccccc3)=Nc([nH]nc3)c3C2=O)n1

InChI

InChI=1S/C22H18N6O2S/c1-2-14-8-10-15(11-9-14)19-24-18(30-27-19)13-31-22-25-20-17(12-23-26-20)21(29)28(22)16-6-4-3-5-7-16/h3-12H,2,13H2,1H3,(H,23,26)

InChI Key

ALBWTGVGQCGNTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22591022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.49

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

4.563

Distribution Coefficient, logD

4.561

Water Solubility, LogSw

-4.29

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

13.60

L944-0016 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 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
  • 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 L944-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L944-0016?
Check Price and Availability of L944-0016, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L944-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L944-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L944-0016
  • 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 L944-0016 available by request