L944-0030 Screening compound: 6-({[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

L944-0030 Screening compound: 6-({[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
L944-0030 Screening compound: 6-({[3-(3-ethoxyphenyl)-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 L944-0030
6-({[3-(3-ethoxyphenyl)-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

L944-0030

Molecular Formula

C22H18N6O3S (C22 H18 N6 O3 S)

Compound Name

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

SMILES

CCOc1cccc(-c2noc(CSC(N3c4ccccc4)=Nc([nH]nc4)c4C3=O)n2)c1

InChI

InChI=1S/C22H18N6O3S/c1-2-30-16-10-6-7-14(11-16)19-24-18(31-27-19)13-32-22-25-20-17(12-23-26-20)21(29)28(22)15-8-4-3-5-9-15/h3-12H,2,13H2,1H3,(H,23,26)

InChI Key

XLKFDWLNVHKOCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22591030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.081

Distribution Coefficient, logD

4.079

Water Solubility, LogSw

-4.05

Polar Surface Area

87.893

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

4.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

L944-0030 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 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
  • Cancer
  • 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 L944-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L944-0030?
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What is the minimum amount of L944-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L944-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L944-0030
  • 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 L944-0030 available by request