C741-0524 Screening compound: 1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-[(4-fluorophenyl)methyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C741-0524 Screening compound: 1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-[(4-fluorophenyl)methyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
C741-0524 Screening compound: 1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-[(4-fluorophenyl)methyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C741-0524
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-[(4-fluorophenyl)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

C741-0524

Molecular Formula

C30H29FN6O2 (C30 H29 FN6 O2)

Compound Name

1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-[(4-fluorophenyl)methyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

IUPAC name

1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-[(4-fluorophenyl)methyl]-4H5H-[124]triazolo[43-a]quinazolin-5-one

SMILES

O=C(CCc(n1-c2c3cccc2)nnc1N(Cc(cc1)ccc1F)C3=O)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C30H29FN6O2/c31-24-12-10-23(11-13-24)21-36-29(39)25-8-4-5-9-26(25)37-27(32-33-30(36)37)14-15-28(38)35-18-16-34(17-19-35)20-22-6-2-1-3-7-22/h1-13H,14-21H2

InChI Key

RHMKBEQSWUREHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.838

Distribution Coefficient, logD

2.805

Water Solubility, LogSw

-3.57

Polar Surface Area

59.639

Acid Dissociation Constant (pKa)

20.95

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

C741-0524 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C741-0524 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-0524?
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What is the minimum amount of C741-0524 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-0524
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-0524
  • 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 C741-0524 available by request