C741-0666 Screening compound: 3-{4-[(2-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(4-fluorophenyl)propanamide

C741-0666 Screening compound: 3-{4-[(2-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(4-fluorophenyl)propanamide
C741-0666 Screening compound: 3-{4-[(2-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(4-fluorophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C741-0666
3-{4-[(2-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(4-fluorophenyl)propanamide

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

C741-0666

Molecular Formula

C25H19ClFN5O2 (C25 H19 ClFN5 O2)

Compound Name

3-{4-[(2-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(4-fluorophenyl)propanamide

IUPAC name

3-{4-[(2-chlorophenyl)methyl]-5-oxo-4H5H-[124]triazolo[43-a]quinazolin-1-yl}-N-(4-fluorophenyl)propanamide

SMILES

O=C(CCc(n1-c2c3cccc2)nnc1N(Cc(cccc1)c1Cl)C3=O)Nc(cc1)ccc1F

InChI

InChI=1S/C25H19ClFN5O2/c26-20-7-3-1-5-16(20)15-31-24(34)19-6-2-4-8-21(19)32-22(29-30-25(31)32)13-14-23(33)28-18-11-9-17(27)10-12-18/h1-12H,13-15H2,(H,28,33)

InChI Key

KZDOBOAJICUJEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.712

Distribution Coefficient, logD

3.712

Water Solubility, LogSw

-4.28

Polar Surface Area

62.856

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C741-0666 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Autophagy-Targeted Library (4564 compounds)

Human Proteases Annotated Library (2868 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C741-0666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-0666?
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What is the minimum amount of C741-0666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-0666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-0666
  • 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 C741-0666 available by request