L984-0054 Screening compound: 5-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

L984-0054 Screening compound: 5-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
L984-0054 Screening compound: 5-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L984-0054
5-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(4-fluorophenyl)-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

L984-0054

Molecular Formula

C20H12BrFN6O2 (C20 H12 BrFN6 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C1N(Cc2nc(-c(cc3)ccc3Br)no2)C=Nc2c1cnn2-c(cc1)ccc1F

InChI

InChI=1S/C20H12BrFN6O2/c21-13-3-1-12(2-4-13)18-25-17(30-26-18)10-27-11-23-19-16(20(27)29)9-24-28(19)15-7-5-14(22)6-8-15/h1-9,11H,10H2

InChI Key

ZQFPZHNOPQAUJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16635577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.26

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

4.484

Distribution Coefficient, logD

4.484

Water Solubility, LogSw

-4.46

Polar Surface Area

71.632

Acid Dissociation Constant (pKa)

31.80

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

L984-0054 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer
  • 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 L984-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L984-0054?
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What is the minimum amount of L984-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L984-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L984-0054
  • 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 L984-0054 available by request