L984-0079 Screening compound: 5-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(4-methylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

L984-0079 Screening compound: 5-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(4-methylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
L984-0079 Screening compound: 5-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(4-methylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L984-0079
5-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(4-methylphenyl)-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

L984-0079

Molecular Formula

C21H15ClN6O2 (C21 H15 ClN6 O2)

Compound Name

5-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(4-methylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

IUPAC name

5-{[3-(4-chlorophenyl)-124-oxadiazol-5-yl]methyl}-1-(4-methylphenyl)-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

Cc(cc1)ccc1-n1ncc2c1N=CN(Cc1nc(-c(cc3)ccc3Cl)no1)C2=O

InChI

InChI=1S/C21H15ClN6O2/c1-13-2-8-16(9-3-13)28-20-17(10-24-28)21(29)27(12-23-20)11-18-25-19(26-30-18)14-4-6-15(22)7-5-14/h2-10,12H,11H2,1H3

InChI Key

MSEAHXNHCUDCAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16635709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.639

Distribution Coefficient, logD

4.639

Water Solubility, LogSw

-4.79

Polar Surface Area

71.632

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

L984-0079 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L984-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L984-0079?
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What is the minimum amount of L984-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L984-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L984-0079
  • 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 L984-0079 available by request