P838-0046 Screening compound: 5-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)-4-hydroxy-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

P838-0046 Screening compound: 5-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)-4-hydroxy-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
P838-0046 Screening compound: 5-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)-4-hydroxy-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P838-0046
5-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)-4-hydroxy-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-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

P838-0046

Molecular Formula

C22H16FN5O3 (C22 H16 FN5 O3)

Compound Name

5-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)-4-hydroxy-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

5-[3-(4-ethylphenyl)-124-oxadiazol-5-yl]-1-(4-fluorophenyl)-4-hydroxy-1H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

CCc(cc1)ccc1-c1noc(C(C(Nc2c3cnn2-c(cc2)ccc2F)=O)=C3O)n1

InChI

InChI=1S/C22H16FN5O3/c1-2-12-3-5-13(6-4-12)19-25-22(31-27-19)17-18(29)16-11-24-28(20(16)26-21(17)30)15-9-7-14(23)8-10-15/h3-11H,2H2,1H3,(H2,26,29,30)

InChI Key

UWNZBJHMUNEASS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.405

Distribution Coefficient, logD

-2.262

Water Solubility, LogSw

-4.14

Polar Surface Area

85.543

Acid Dissociation Constant (pKa)

0.73

Base Dissociation Constant (pKb)

-3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

P838-0046 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Cardiovascular Library (22201 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular

References: we are preparing a list of scientific research reports with P838-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P838-0046?
Check Price and Availability of P838-0046, 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 P838-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P838-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P838-0046
  • 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 P838-0046 available by request