F829-0161 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one

F829-0161 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
F829-0161 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-{[3-(4-bromophenyl)-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 F829-0161
2-(2H-1,3-benzodioxol-5-yl)-5-{[3-(4-bromophenyl)-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

F829-0161

Molecular Formula

C22H14BrN5O4 (C22 H14 BrN5 O4)

Compound Name

2-(2H-1,3-benzodioxol-5-yl)-5-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one

IUPAC name

2-(2H-13-benzodioxol-5-yl)-5-{[3-(4-bromophenyl)-124-oxadiazol-5-yl]methyl}-4H5H-pyrazolo[15-a]pyrazin-4-one

SMILES

O=C(c1c2)N(Cc3nc(-c(cc4)ccc4Br)no3)C=Cn1nc2-c(cc1)cc2c1OCO2

InChI

InChI=1S/C22H14BrN5O4/c23-15-4-1-13(2-5-15)21-24-20(32-26-21)11-27-7-8-28-17(22(27)29)10-16(25-28)14-3-6-18-19(9-14)31-12-30-18/h1-10H,11-12H2

InChI Key

FNYJREGETLVIJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27196591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.045

Distribution Coefficient, logD

4.045

Water Solubility, LogSw

-4.33

Polar Surface Area

76.429

Acid Dissociation Constant (pKa)

31.07

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

F829-0161 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F829-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F829-0161?
Check Price and Availability of F829-0161, 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 F829-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F829-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F829-0161
  • 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 F829-0161 available by request