C741-1005 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methylpropyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide

C741-1005 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methylpropyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
C741-1005 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methylpropyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C741-1005
N-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methylpropyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide

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

C741-1005

Molecular Formula

C26H28N6O2 (C26 H28 N6 O2)

Compound Name

N-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methylpropyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide

IUPAC name

N-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methylpropyl)-5-oxo-4H5H-[124]triazolo[43-a]quinazolin-1-yl]propanamide

SMILES

CC(C)CN(c1nnc(CCC(NCCc2c[nH]c3c2cccc3)=O)n1-c1c2cccc1)C2=O

InChI

InChI=1S/C26H28N6O2/c1-17(2)16-31-25(34)20-8-4-6-10-22(20)32-23(29-30-26(31)32)11-12-24(33)27-14-13-18-15-28-21-9-5-3-7-19(18)21/h3-10,15,17,28H,11-14,16H2,1-2H3,(H,27,33)

InChI Key

FJAUPWZQYPHSJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.665

Distribution Coefficient, logD

2.665

Water Solubility, LogSw

-3.26

Polar Surface Area

74.162

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C741-1005 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C741-1005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-1005?
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What is the minimum amount of C741-1005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-1005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-1005
  • 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 C741-1005 available by request