L984-0059 Screening compound: 1-(4-fluorophenyl)-5-({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

L984-0059 Screening compound: 1-(4-fluorophenyl)-5-({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
L984-0059 Screening compound: 1-(4-fluorophenyl)-5-({3-[4-(trifluoromethoxy)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 L984-0059
1-(4-fluorophenyl)-5-({3-[4-(trifluoromethoxy)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

L984-0059

Molecular Formula

C21H12F4N6O3 (C21 H12 F4 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C1N(Cc2nc(-c(cc3)ccc3OC(F)(F)F)no2)C=Nc2c1cnn2-c(cc1)ccc1F

InChI

InChI=1S/C21H12F4N6O3/c22-13-3-5-14(6-4-13)31-19-16(9-27-31)20(32)30(11-26-19)10-17-28-18(29-34-17)12-1-7-15(8-2-12)33-21(23,24)25/h1-9,11H,10H2

InChI Key

AXUHNZWRFHOUBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15138004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.36

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

4.841

Distribution Coefficient, logD

4.841

Water Solubility, LogSw

-4.80

Polar Surface Area

77.569

Acid Dissociation Constant (pKa)

31.80

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

L984-0059 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 L984-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L984-0059?
Check Price and Availability of L984-0059, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L984-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L984-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L984-0059
  • 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 L984-0059 available by request