L984-0289 Screening compound: 1-(5-chloro-2-methylphenyl)-5-{[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

L984-0289 Screening compound: 1-(5-chloro-2-methylphenyl)-5-{[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
L984-0289 Screening compound: 1-(5-chloro-2-methylphenyl)-5-{[3-(3-ethoxyphenyl)-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 L984-0289
1-(5-chloro-2-methylphenyl)-5-{[3-(3-ethoxyphenyl)-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

L984-0289

Molecular Formula

C23H19ClN6O3 (C23 H19 ClN6 O3)

Compound Name

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

IUPAC name

1-(5-chloro-2-methylphenyl)-5-{[3-(3-ethoxyphenyl)-124-oxadiazol-5-yl]methyl}-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

CCOc1cccc(-c2noc(CN(C=Nc3c4cnn3-c3c(C)ccc(Cl)c3)C4=O)n2)c1

InChI

InChI=1S/C23H19ClN6O3/c1-3-32-17-6-4-5-15(9-17)21-27-20(33-28-21)12-29-13-25-22-18(23(29)31)11-26-30(22)19-10-16(24)8-7-14(19)2/h4-11,13H,3,12H2,1-2H3

InChI Key

INMJMQOSDYVAQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22591619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.152

Distribution Coefficient, logD

5.152

Water Solubility, LogSw

-5.41

Polar Surface Area

78.455

Acid Dissociation Constant (pKa)

27.20

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

L984-0289 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L984-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L984-0289?
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What is the minimum amount of L984-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L984-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L984-0289
  • 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 L984-0289 available by request