F829-0691 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-{[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one

F829-0691 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-{[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
F829-0691 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-{[3-(2-methoxyphenyl)-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 F829-0691
2-(2H-1,3-benzodioxol-5-yl)-5-{[3-(2-methoxyphenyl)-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

F829-0691

Molecular Formula

C23H17N5O5 (C23 H17 N5 O5)

Compound Name

2-(2H-1,3-benzodioxol-5-yl)-5-{[3-(2-methoxyphenyl)-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-(2-methoxyphenyl)-124-oxadiazol-5-yl]methyl}-4H5H-pyrazolo[15-a]pyrazin-4-one

SMILES

COc(cccc1)c1-c1noc(CN(C=Cn(c2c3)nc3-c(cc3)cc4c3OCO4)C2=O)n1

InChI

InChI=1S/C23H17N5O5/c1-30-18-5-3-2-4-15(18)22-24-21(33-26-22)12-27-8-9-28-17(23(27)29)11-16(25-28)14-6-7-19-20(10-14)32-13-31-19/h2-11H,12-13H2,1H3

InChI Key

IIJLUSBFWDVIAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27196628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.744

Distribution Coefficient, logD

2.744

Water Solubility, LogSw

-3.32

Polar Surface Area

84.060

Acid Dissociation Constant (pKa)

31.07

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

F829-0691 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with F829-0691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F829-0691?
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What is the minimum amount of F829-0691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F829-0691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F829-0691
  • 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 F829-0691 available by request