F833-0558 Screening compound: 9-(4-fluorophenyl)-2-{2-[4-(4-fluorophenyl)piperazino]-2-oxoethyl}pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3(2H)-one

F833-0558 Screening compound: 9-(4-fluorophenyl)-2-{2-[4-(4-fluorophenyl)piperazino]-2-oxoethyl}pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3(2H)-one
F833-0558 Screening compound: 9-(4-fluorophenyl)-2-{2-[4-(4-fluorophenyl)piperazino]-2-oxoethyl}pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F833-0558
9-(4-fluorophenyl)-2-{2-[4-(4-fluorophenyl)piperazino]-2-oxoethyl}pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3(2H)-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

F833-0558

Molecular Formula

C25H21F2N7O2 (C25 H21 F2 N7 O2)

Compound Name

9-(4-fluorophenyl)-2-{2-[4-(4-fluorophenyl)piperazino]-2-oxoethyl}pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3(2H)-one

IUPAC name

11-(4-fluorophenyl)-4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-346910-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(12)2710-tetraen-5-one

SMILES

O=C(CN1N=C(c2cc(-c(cc3)ccc3F)nn2C=C2)N2C1=O)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C25H21F2N7O2/c26-18-3-1-17(2-4-18)21-15-22-24-29-34(25(36)32(24)13-14-33(22)28-21)16-23(35)31-11-9-30(10-12-31)20-7-5-19(27)6-8-20/h1-8,13-15H,9-12,16H2

InChI Key

SDZOJUWBLBJLML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27197551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.543

Distribution Coefficient, logD

2.543

Water Solubility, LogSw

-2.78

Polar Surface Area

62.972

Acid Dissociation Constant (pKa)

18.79

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

F833-0558 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F833-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F833-0558?
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What is the minimum amount of F833-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F833-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F833-0558
  • 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 F833-0558 available by request