F365-0179 Screening compound: N-cyclohexyl-2-{4-[(4-methylphenyl)methyl]-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-2-yl}acetamide

F365-0179 Screening compound: N-cyclohexyl-2-{4-[(4-methylphenyl)methyl]-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-2-yl}acetamide
F365-0179 Screening compound: N-cyclohexyl-2-{4-[(4-methylphenyl)methyl]-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F365-0179
N-cyclohexyl-2-{4-[(4-methylphenyl)methyl]-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-2-yl}acetamide

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

F365-0179

Molecular Formula

C25H27N5O3 (C25 H27 N5 O3)

Compound Name

N-cyclohexyl-2-{4-[(4-methylphenyl)methyl]-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-2-yl}acetamide

IUPAC name

N-cyclohexyl-2-{4-[(4-methylphenyl)methyl]-15-dioxo-1H2H4H5H-[124]triazolo[43-a]quinazolin-2-yl}acetamide

SMILES

Cc1ccc(CN(C(N2c3c4cccc3)=NN(CC(NC3CCCCC3)=O)C2=O)C4=O)cc1

InChI

InChI=1S/C25H27N5O3/c1-17-11-13-18(14-12-17)15-28-23(32)20-9-5-6-10-21(20)30-24(28)27-29(25(30)33)16-22(31)26-19-7-3-2-4-8-19/h5-6,9-14,19H,2-4,7-8,15-16H2,1H3,(H,26,31)

InChI Key

XIAXNDLRJFJASS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27119397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.830

Distribution Coefficient, logD

3.830

Water Solubility, LogSw

-3.99

Polar Surface Area

72.132

Acid Dissociation Constant (pKa)

16.20

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

F365-0179 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F365-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F365-0179?
Check Price and Availability of F365-0179, 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 F365-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F365-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F365-0179
  • 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 F365-0179 available by request