F366-0072 Screening compound: 2-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-(3-methylbutyl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione

F366-0072 Screening compound: 2-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-(3-methylbutyl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
F366-0072 Screening compound: 2-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-(3-methylbutyl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F366-0072
2-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-(3-methylbutyl)-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

F366-0072

Molecular Formula

C24H26N4O4 (C24 H26 N4 O4)

Compound Name

2-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-(3-methylbutyl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione

IUPAC name

2-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-(3-methylbutyl)-1H2H4H5H-[124]triazolo[43-a]quinazoline-15-dione

SMILES

CCOc(cc1)ccc1C(CN(C(N1c2c3cccc2)=O)N=C1N(CCC(C)C)C3=O)=O

InChI

InChI=1S/C24H26N4O4/c1-4-32-18-11-9-17(10-12-18)21(29)15-27-24(31)28-20-8-6-5-7-19(20)22(30)26(23(28)25-27)14-13-16(2)3/h5-12,16H,4,13-15H2,1-3H3

InChI Key

IWSZIOATBNXHMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27119542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.853

Distribution Coefficient, logD

3.853

Water Solubility, LogSw

-3.97

Polar Surface Area

68.556

Acid Dissociation Constant (pKa)

16.34

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F366-0072 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Others
  • GPCR
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F366-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F366-0072?
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What is the minimum amount of F366-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F366-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F366-0072
  • 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 F366-0072 available by request