P838-0072 Screening compound: 1-benzyl-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-hydroxy-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

P838-0072 Screening compound: 1-benzyl-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-hydroxy-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
P838-0072 Screening compound: 1-benzyl-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-hydroxy-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P838-0072
1-benzyl-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-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

P838-0072

Molecular Formula

C21H14FN5O3 (C21 H14 FN5 O3)

Compound Name

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

IUPAC name

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

SMILES

OC(c1c(N2)n(Cc3ccccc3)nc1)=C(c1nc(-c3cccc(F)c3)no1)C2=O

InChI

InChI=1S/C21H14FN5O3/c22-14-8-4-7-13(9-14)18-24-21(30-26-18)16-17(28)15-10-23-27(19(15)25-20(16)29)11-12-5-2-1-3-6-12/h1-10H,11H2,(H2,25,28,29)

InChI Key

BPVGVYDEYUSFCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.37

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

3.324

Distribution Coefficient, logD

-1.251

Water Solubility, LogSw

-3.60

Polar Surface Area

85.407

Acid Dissociation Constant (pKa)

2.82

Base Dissociation Constant (pKb)

-4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

P838-0072 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P838-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P838-0072?
Check Price and Availability of P838-0072, 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 P838-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P838-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P838-0072
  • 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 P838-0072 available by request