L984-0085 Screening compound: 1-(4-methylphenyl)-5-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

L984-0085 Screening compound: 1-(4-methylphenyl)-5-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
L984-0085 Screening compound: 1-(4-methylphenyl)-5-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L984-0085
1-(4-methylphenyl)-5-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-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

L984-0085

Molecular Formula

C22H18N6O2S (C22 H18 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-n1ncc2c1N=CN(Cc1nc(-c(cc3)ccc3SC)no1)C2=O

InChI

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

InChI Key

REMBNGLBQXIPDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16635712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.763

Distribution Coefficient, logD

4.763

Water Solubility, LogSw

-4.44

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

13.60

L984-0085 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 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
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L984-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L984-0085?
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What is the minimum amount of L984-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L984-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L984-0085
  • 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 L984-0085 available by request