C741-0327 Screening compound: N-[3-(morpholin-4-yl)propyl]-3-[5-oxo-4-(2-phenylethyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide

C741-0327 Screening compound: N-[3-(morpholin-4-yl)propyl]-3-[5-oxo-4-(2-phenylethyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
C741-0327 Screening compound: N-[3-(morpholin-4-yl)propyl]-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 C741-0327
N-[3-(morpholin-4-yl)propyl]-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

C741-0327

Molecular Formula

C27H32N6O3 (C27 H32 N6 O3)

Compound Name

N-[3-(morpholin-4-yl)propyl]-3-[5-oxo-4-(2-phenylethyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide

IUPAC name

N-[3-(morpholin-4-yl)propyl]-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)NCCCN1CCOCC1

InChI

InChI=1S/C27H32N6O3/c34-25(28-14-6-15-31-17-19-36-20-18-31)12-11-24-29-30-27-32(16-13-21-7-2-1-3-8-21)26(35)22-9-4-5-10-23(22)33(24)27/h1-5,7-10H,6,11-20H2,(H,28,34)

InChI Key

NIWOIRYGYJSWGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.035

Distribution Coefficient, logD

0.612

Water Solubility, LogSw

-2.09

Polar Surface Area

75.889

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

C741-0327 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C741-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-0327?
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What is the minimum amount of C741-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-0327
  • 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 C741-0327 available by request