C741-0553 Screening compound: N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-3-{4-[(4-fluorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide

C741-0553 Screening compound: N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-3-{4-[(4-fluorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide
C741-0553 Screening compound: N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-3-{4-[(4-fluorophenyl)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 C741-0553
N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-3-{4-[(4-fluorophenyl)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

C741-0553

Molecular Formula

C32H35FN6O3 (C32 H35 FN6 O3)

Compound Name

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

SMILES

O=C(CCc(n1-c2c3cccc2)nnc1N(Cc(cc1)ccc1F)C3=O)NCCCN(Cc1ccco1)C1CCCC1

InChI

InChI=1S/C32H35FN6O3/c33-24-14-12-23(13-15-24)21-38-31(41)27-10-3-4-11-28(27)39-29(35-36-32(38)39)16-17-30(40)34-18-6-19-37(25-7-1-2-8-25)22-26-9-5-20-42-26/h3-5,9-15,20,25H,1-2,6-8,16-19,21-22H2,(H,34,40)

InChI Key

DXVAVWFHVZZFCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.67

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

3.281

Distribution Coefficient, logD

1.922

Water Solubility, LogSw

-3.74

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

37.50

C741-0553 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C741-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-0553?
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What is the minimum amount of C741-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-0553
  • 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 C741-0553 available by request