C741-0823 Screening compound: 1-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-3-oxopropyl)-4-(2-phenylethyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C741-0823 Screening compound: 1-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-3-oxopropyl)-4-(2-phenylethyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
C741-0823 Screening compound: 1-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-3-oxopropyl)-4-(2-phenylethyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C741-0823
1-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-3-oxopropyl)-4-(2-phenylethyl)-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

C741-0823

Molecular Formula

C32H33ClN6O3 (C32 H33 ClN6 O3)

Compound Name

1-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-3-oxopropyl)-4-(2-phenylethyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

IUPAC name

1-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-3-oxopropyl)-4-(2-phenylethyl)-4H5H-[124]triazolo[43-a]quinazolin-5-one

SMILES

O=C(CCc(n1-c2c3cccc2)nnc1N(CCc1ccccc1)C3=O)N1CCN(CCOc(cc2)ccc2Cl)CC1

InChI

InChI=1S/C32H33ClN6O3/c33-25-10-12-26(13-11-25)42-23-22-36-18-20-37(21-19-36)30(40)15-14-29-34-35-32-38(17-16-24-6-2-1-3-7-24)31(41)27-8-4-5-9-28(27)39(29)32/h1-13H,14-23H2

InChI Key

BHKFIHHTXHNCPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

585.11

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.783

Distribution Coefficient, logD

3.768

Water Solubility, LogSw

-4.37

Polar Surface Area

67.014

Acid Dissociation Constant (pKa)

22.07

Base Dissociation Constant (pKb)

5.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C741-0823 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C741-0823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-0823?
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What is the minimum amount of C741-0823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-0823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-0823
  • 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 C741-0823 available by request