C741-0517 Screening compound: 4-[(4-fluorophenyl)methyl]-1-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C741-0517 Screening compound: 4-[(4-fluorophenyl)methyl]-1-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
C741-0517 Screening compound: 4-[(4-fluorophenyl)methyl]-1-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C741-0517
4-[(4-fluorophenyl)methyl]-1-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

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

C741-0517

Molecular Formula

C28H26FN7O2 (C28 H26 FN7 O2)

Compound Name

4-[(4-fluorophenyl)methyl]-1-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

IUPAC name

4-[(4-fluorophenyl)methyl]-1-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-4H5H-[124]triazolo[43-a]quinazolin-5-one

SMILES

O=C(CCc(n1-c2c3cccc2)nnc1N(Cc(cc1)ccc1F)C3=O)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C28H26FN7O2/c29-21-10-8-20(9-11-21)19-35-27(38)22-5-1-2-6-23(22)36-25(31-32-28(35)36)12-13-26(37)34-17-15-33(16-18-34)24-7-3-4-14-30-24/h1-11,14H,12-13,15-19H2

InChI Key

ODJUSGJPWMBSDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.824

Distribution Coefficient, logD

2.815

Water Solubility, LogSw

-3.53

Polar Surface Area

67.870

Acid Dissociation Constant (pKa)

20.95

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C741-0517 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Epigenetics Focused Set (26518 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C741-0517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-0517?
Check Price and Availability of C741-0517, 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 C741-0517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-0517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-0517
  • 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 C741-0517 available by request