C741-0491 Screening compound: N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-3-{4-[(4-methylphenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide

C741-0491 Screening compound: N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-3-{4-[(4-methylphenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide
C741-0491 Screening compound: N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-3-{4-[(4-methylphenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C741-0491
N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-3-{4-[(4-methylphenyl)methyl]-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

C741-0491

Molecular Formula

C33H38N6O3 (C33 H38 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CN(c2nnc(CCC(NCCCN(Cc3ccco3)C3CCCC3)=O)n2-c2c3cccc2)C3=O)cc1

InChI

InChI=1S/C33H38N6O3/c1-24-13-15-25(16-14-24)22-38-32(41)28-11-4-5-12-29(28)39-30(35-36-33(38)39)17-18-31(40)34-19-7-20-37(26-8-2-3-9-26)23-27-10-6-21-42-27/h4-6,10-16,21,26H,2-3,7-9,17-20,22-23H2,1H3,(H,34,40)

InChI Key

CXBHDPXEUSKONC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.7

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

3.676

Distribution Coefficient, logD

2.317

Water Solubility, LogSw

-3.95

Polar Surface Area

74.961

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

8.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.40

C741-0491 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with C741-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-0491?
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What is the minimum amount of C741-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-0491
  • 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 C741-0491 available by request