C741-0466 Screening compound: 1-{3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl}-4-[(4-methylphenyl)methyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C741-0466 Screening compound: 1-{3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl}-4-[(4-methylphenyl)methyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
C741-0466 Screening compound: 1-{3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl}-4-[(4-methylphenyl)methyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C741-0466
1-{3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl}-4-[(4-methylphenyl)methyl]-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

C741-0466

Molecular Formula

C32H32N6O3 (C32 H32 N6 O3)

Compound Name

1-{3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl}-4-[(4-methylphenyl)methyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

IUPAC name

1-{3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl}-4-[(4-methylphenyl)methyl]-4H5H-[124]triazolo[43-a]quinazolin-5-one

SMILES

CC(c(cc1)ccc1N(CC1)CCN1C(CCc(n1-c2c3cccc2)nnc1N(Cc1ccc(C)cc1)C3=O)=O)=O

InChI

InChI=1S/C32H32N6O3/c1-22-7-9-24(10-8-22)21-37-31(41)27-5-3-4-6-28(27)38-29(33-34-32(37)38)15-16-30(40)36-19-17-35(18-20-36)26-13-11-25(12-14-26)23(2)39/h3-14H,15-21H2,1-2H3

InChI Key

YANNZXVVJKIOAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.215

Distribution Coefficient, logD

3.215

Water Solubility, LogSw

-3.61

Polar Surface Area

73.186

Acid Dissociation Constant (pKa)

21.41

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.10

C741-0466 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C741-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-0466?
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What is the minimum amount of C741-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-0466
  • 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 C741-0466 available by request