F366-0059 Screening compound: 4-(2-methylpropyl)-2-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione

F366-0059 Screening compound: 4-(2-methylpropyl)-2-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
F366-0059 Screening compound: 4-(2-methylpropyl)-2-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F366-0059
4-(2-methylpropyl)-2-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione

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

F366-0059

Molecular Formula

C21H19F3N4O2 (C21 H19 F3 N4 O2)

Compound Name

4-(2-methylpropyl)-2-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione

IUPAC name

4-(2-methylpropyl)-2-{[3-(trifluoromethyl)phenyl]methyl}-1H2H4H5H-[124]triazolo[43-a]quinazoline-15-dione

SMILES

CC(C)CN(C(N1c2c3cccc2)=NN(Cc2cccc(C(F)(F)F)c2)C1=O)C3=O

InChI

InChI=1S/C21H19F3N4O2/c1-13(2)11-26-18(29)16-8-3-4-9-17(16)28-19(26)25-27(20(28)30)12-14-6-5-7-15(10-14)21(22,23)24/h3-10,13H,11-12H2,1-2H3

InChI Key

RCLDLSMWTWMUMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27119536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.426

Distribution Coefficient, logD

4.426

Water Solubility, LogSw

-4.46

Polar Surface Area

48.207

Acid Dissociation Constant (pKa)

23.82

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F366-0059 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F366-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F366-0059?
Check Price and Availability of F366-0059, 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 F366-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F366-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F366-0059
  • 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 F366-0059 available by request