C741-0451 Screening compound: 1-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-4-[(4-methylphenyl)methyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C741-0451 Screening compound: 1-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-4-[(4-methylphenyl)methyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
C741-0451 Screening compound: 1-[3-(4-cyclohexylpiperazin-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 C741-0451
1-[3-(4-cyclohexylpiperazin-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

C741-0451

Molecular Formula

C30H36N6O2 (C30 H36 N6 O2)

Compound Name

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

SMILES

Cc1ccc(CN(c2nnc(CCC(N(CC3)CCN3C3CCCCC3)=O)n2-c2c3cccc2)C3=O)cc1

InChI

InChI=1S/C30H36N6O2/c1-22-11-13-23(14-12-22)21-35-29(38)25-9-5-6-10-26(25)36-27(31-32-30(35)36)15-16-28(37)34-19-17-33(18-20-34)24-7-3-2-4-8-24/h5-6,9-14,24H,2-4,7-8,15-21H2,1H3

InChI Key

DREDPWUNOYKQSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.573

Distribution Coefficient, logD

3.274

Water Solubility, LogSw

-3.71

Polar Surface Area

59.192

Acid Dissociation Constant (pKa)

21.41

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

C741-0451 in Drug Discovery

Included in Screening Libraries

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

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 C741-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-0451?
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What is the minimum amount of C741-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-0451
  • 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 C741-0451 available by request