C741-0795 Screening compound: 1-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl}-4-(2-phenylethyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C741-0795 Screening compound: 1-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl}-4-(2-phenylethyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
C741-0795 Screening compound: 1-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl}-4-(2-phenylethyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C741-0795
1-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl}-4-(2-phenylethyl)-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

C741-0795

Molecular Formula

C29H28N6O4 (C29 H28 N6 O4)

Compound Name

1-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl}-4-(2-phenylethyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

IUPAC name

1-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl}-4-(2-phenylethyl)-4H5H-[124]triazolo[43-a]quinazolin-5-one

SMILES

O=C(CCc(n1-c2c3cccc2)nnc1N(CCc1ccccc1)C3=O)N(CC1)CCN1C(c1ccco1)=O

InChI

InChI=1S/C29H28N6O4/c36-26(32-16-18-33(19-17-32)28(38)24-11-6-20-39-24)13-12-25-30-31-29-34(15-14-21-7-2-1-3-8-21)27(37)22-9-4-5-10-23(22)35(25)29/h1-11,20H,12-19H2

InChI Key

OWJJABFBLLVAIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.800

Distribution Coefficient, logD

1.800

Water Solubility, LogSw

-2.29

Polar Surface Area

81.112

Acid Dissociation Constant (pKa)

22.07

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

C741-0795 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C741-0795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-0795?
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What is the minimum amount of C741-0795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-0795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-0795
  • 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 C741-0795 available by request