C741-1016 Screening compound: 1-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-4-(2-methylpropyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C741-1016 Screening compound: 1-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-4-(2-methylpropyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
C741-1016 Screening compound: 1-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-4-(2-methylpropyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C741-1016
1-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-4-(2-methylpropyl)-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

C741-1016

Molecular Formula

C26H36N6O2 (C26 H36 N6 O2)

Compound Name

1-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-4-(2-methylpropyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

IUPAC name

1-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-4-(2-methylpropyl)-4H5H-[124]triazolo[43-a]quinazolin-5-one

SMILES

CC(C)CN(c1nnc(CCC(N(CC2)CCN2C2CCCCC2)=O)n1-c1c2cccc1)C2=O

InChI

InChI=1S/C26H36N6O2/c1-19(2)18-31-25(34)21-10-6-7-11-22(21)32-23(27-28-26(31)32)12-13-24(33)30-16-14-29(15-17-30)20-8-4-3-5-9-20/h6-7,10-11,19-20H,3-5,8-9,12-18H2,1-2H3

InChI Key

GKXZZJLFJRPISS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.61

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

2.789

Distribution Coefficient, logD

2.490

Water Solubility, LogSw

-3.50

Polar Surface Area

59.464

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.50

C741-1016 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C741-1016 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-1016
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Delivery formats for C741-1016
  • 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 C741-1016 available by request