C741-0820 Screening compound: N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-3-[5-oxo-4-(2-phenylethyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide

C741-0820 Screening compound: N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-3-[5-oxo-4-(2-phenylethyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
C741-0820 Screening compound: N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]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 C741-0820
N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]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

C741-0820

Molecular Formula

C34H39N7O2 (C34 H39 N7 O2)

Compound Name

N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-3-[5-oxo-4-(2-phenylethyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide

IUPAC name

N-{2-[4-(23-dimethylphenyl)piperazin-1-yl]ethyl}-3-[5-oxo-4-(2-phenylethyl)-4H5H-[124]triazolo[43-a]quinazolin-1-yl]propanamide

SMILES

Cc1cccc(N2CCN(CCNC(CCc(n3-c4c5cccc4)nnc3N(CCc3ccccc3)C5=O)=O)CC2)c1C

InChI

InChI=1S/C34H39N7O2/c1-25-9-8-14-29(26(25)2)39-23-21-38(22-24-39)20-18-35-32(42)16-15-31-36-37-34-40(19-17-27-10-4-3-5-11-27)33(43)28-12-6-7-13-30(28)41(31)34/h3-14H,15-24H2,1-2H3,(H,35,42)

InChI Key

RMDQADRAJIGTTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

577.73

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.766

Distribution Coefficient, logD

3.332

Water Solubility, LogSw

-3.97

Polar Surface Area

70.940

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

7.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

C741-0820 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C741-0820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-0820?
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What is the minimum amount of C741-0820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-0820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-0820
  • 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 C741-0820 available by request