F829-0171 Screening compound: 2-(2H-1,3-BENZODIOXOL-5-YL)-5-{[3-(PYRIDIN-2-YL)-1,2,4-OXADIAZOL-5-YL]METHYL}-4H,5H-PYRAZOLO[1,5-A]PYRAZIN-4-ONE

F829-0171 Screening compound: 2-(2H-1,3-BENZODIOXOL-5-YL)-5-{[3-(PYRIDIN-2-YL)-1,2,4-OXADIAZOL-5-YL]METHYL}-4H,5H-PYRAZOLO[1,5-A]PYRAZIN-4-ONE
F829-0171 Screening compound: 2-(2H-1,3-BENZODIOXOL-5-YL)-5-{[3-(PYRIDIN-2-YL)-1,2,4-OXADIAZOL-5-YL]METHYL}-4H,5H-PYRAZOLO[1,5-A]PYRAZIN-4-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound F829-0171
2-(2H-1,3-BENZODIOXOL-5-YL)-5-{[3-(PYRIDIN-2-YL)-1,2,4-OXADIAZOL-5-YL]METHYL}-4H,5H-PYRAZOLO[1,5-A]PYRAZIN-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

F829-0171

Molecular Formula

C21H14N6O4 (C21 H14 N6 O4)

Compound Name

2-(2H-1,3-BENZODIOXOL-5-YL)-5-{[3-(PYRIDIN-2-YL)-1,2,4-OXADIAZOL-5-YL]METHYL}-4H,5H-PYRAZOLO[1,5-A]PYRAZIN-4-ONE

IUPAC name

n/a

SMILES

O=C(c1c2)N(Cc3nc(-c4ncccc4)no3)C=Cn1nc2-c(cc1)cc2c1OCO2

InChI

InChI=1S/C21H14N6O4/c28-21-16-10-15(13-4-5-17-18(9-13)30-12-29-17)24-27(16)8-7-26(21)11-19-23-20(25-31-19)14-3-1-2-6-22-14/h1-10H,11-12H2

InChI Key

OSUCELYJJWDSCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27196594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.835

Distribution Coefficient, logD

1.835

Water Solubility, LogSw

-2.22

Polar Surface Area

85.477

Acid Dissociation Constant (pKa)

30.13

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

F829-0171 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with F829-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F829-0171?
Check Price and Availability of F829-0171, 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 F829-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F829-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F829-0171
  • 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 F829-0171 available by request