F829-0701 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-{[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one

F829-0701 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-{[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
F829-0701 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-{[3-(3-chloro-4-fluorophenyl)-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 F829-0701
2-(2H-1,3-benzodioxol-5-yl)-5-{[3-(3-chloro-4-fluorophenyl)-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

F829-0701

Molecular Formula

C22H13ClFN5O4 (C22 H13 ClFN5 O4)

Compound Name

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

SMILES

O=C(c1c2)N(Cc3nc(-c(cc4)cc(Cl)c4F)no3)C=Cn1nc2-c(cc1)cc2c1OCO2

InChI

InChI=1S/C22H13ClFN5O4/c23-14-7-13(1-3-15(14)24)21-25-20(33-27-21)10-28-5-6-29-17(22(28)30)9-16(26-29)12-2-4-18-19(8-12)32-11-31-18/h1-9H,10-11H2

InChI Key

IPBPDPOHSLYNOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27196630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.83

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

3.749

Distribution Coefficient, logD

3.749

Water Solubility, LogSw

-4.36

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

F829-0701 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with F829-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F829-0701?
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What is the minimum amount of F829-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F829-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F829-0701
  • 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 F829-0701 available by request