F833-0554 Screening compound: 2-[9-(4-fluorophenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]-N~1~-isopentylacetamide

F833-0554 Screening compound: 2-[9-(4-fluorophenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]-N~1~-isopentylacetamide
F833-0554 Screening compound: 2-[9-(4-fluorophenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]-N~1~-isopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F833-0554
2-[9-(4-fluorophenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]-N~1~-isopentylacetamide

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

F833-0554

Molecular Formula

C20H21FN6O2 (C20 H21 FN6 O2)

Compound Name

2-[9-(4-fluorophenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]-N~1~-isopentylacetamide

IUPAC name

2-[11-(4-fluorophenyl)-5-oxo-346910-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(12)2710-tetraen-4-yl]-N-(3-methylbutyl)acetamide

SMILES

CC(C)CCNC(CN1N=C(c2cc(-c(cc3)ccc3F)nn2C=C2)N2C1=O)=O

InChI

InChI=1S/C20H21FN6O2/c1-13(2)7-8-22-18(28)12-27-20(29)25-9-10-26-17(19(25)24-27)11-16(23-26)14-3-5-15(21)6-4-14/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,22,28)

InChI Key

MLTJDAGELZCDOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27197549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.253

Distribution Coefficient, logD

2.253

Water Solubility, LogSw

-2.88

Polar Surface Area

67.904

Acid Dissociation Constant (pKa)

15.01

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

F833-0554 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F833-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F833-0554?
Check Price and Availability of F833-0554, 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 F833-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F833-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F833-0554
  • 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 F833-0554 available by request