F366-0090 Screening compound: 4-(3-methylbutyl)-2-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione

F366-0090 Screening compound: 4-(3-methylbutyl)-2-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
F366-0090 Screening compound: 4-(3-methylbutyl)-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 F366-0090
4-(3-methylbutyl)-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

F366-0090

Molecular Formula

C22H21F3N4O2 (C22 H21 F3 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H21F3N4O2/c1-14(2)10-11-27-19(30)17-8-3-4-9-18(17)29-20(27)26-28(21(29)31)13-15-6-5-7-16(12-15)22(23,24)25/h3-9,12,14H,10-11,13H2,1-2H3

InChI Key

WCSOTZCISTZKPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27119555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.763

Distribution Coefficient, logD

4.763

Water Solubility, LogSw

-4.50

Polar Surface Area

48.185

Acid Dissociation Constant (pKa)

23.82

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

F366-0090 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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 F366-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F366-0090?
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What is the minimum amount of F366-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F366-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F366-0090
  • 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 F366-0090 available by request