C741-0586 Screening compound: 3-{4-[(4-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[3-(morpholin-4-yl)propyl]propanamide

C741-0586 Screening compound: 3-{4-[(4-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[3-(morpholin-4-yl)propyl]propanamide
C741-0586 Screening compound: 3-{4-[(4-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[3-(morpholin-4-yl)propyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C741-0586
3-{4-[(4-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[3-(morpholin-4-yl)propyl]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

C741-0586

Molecular Formula

C26H29ClN6O3 (C26 H29 ClN6 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCc(n1-c2c3cccc2)nnc1N(Cc(cc1)ccc1Cl)C3=O)NCCCN1CCOCC1

InChI

InChI=1S/C26H29ClN6O3/c27-20-8-6-19(7-9-20)18-32-25(35)21-4-1-2-5-22(21)33-23(29-30-26(32)33)10-11-24(34)28-12-3-13-31-14-16-36-17-15-31/h1-2,4-9H,3,10-18H2,(H,28,34)

InChI Key

LRXGHYFIWAREQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.531

Distribution Coefficient, logD

1.107

Water Solubility, LogSw

-2.93

Polar Surface Area

75.910

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C741-0586 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Annotated Library (21441 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)

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

References: we are preparing a list of scientific research reports with C741-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-0586?
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What is the minimum amount of C741-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-0586
  • 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 C741-0586 available by request