C741-0828 Screening compound: N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-3-[5-oxo-4-(2-phenylethyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide

C741-0828 Screening compound: N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-3-[5-oxo-4-(2-phenylethyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
C741-0828 Screening compound: N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-3-[5-oxo-4-(2-phenylethyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C741-0828
N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-3-[5-oxo-4-(2-phenylethyl)-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

C741-0828

Molecular Formula

C32H36N6O3 (C32 H36 N6 O3)

Compound Name

N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-3-[5-oxo-4-(2-phenylethyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide

IUPAC name

N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-3-[5-oxo-4-(2-phenylethyl)-4H5H-[124]triazolo[43-a]quinazolin-1-yl]propanamide

SMILES

O=C(CCc(n1-c2c3cccc2)nnc1N(CCc1ccccc1)C3=O)NCCN(Cc1ccco1)C1CCCC1

InChI

InChI=1S/C32H36N6O3/c39-30(33-19-21-36(25-11-4-5-12-25)23-26-13-8-22-41-26)17-16-29-34-35-32-37(20-18-24-9-2-1-3-10-24)31(40)27-14-6-7-15-28(27)38(29)32/h1-3,6-10,13-15,22,25H,4-5,11-12,16-21,23H2,(H,33,39)

InChI Key

PGNWTFKSSIWIBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.133

Distribution Coefficient, logD

2.586

Water Solubility, LogSw

-3.58

Polar Surface Area

74.939

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C741-0828 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C741-0828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-0828?
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What is the minimum amount of C741-0828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-0828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-0828
  • 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 C741-0828 available by request