C741-1132 Screening compound: N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-3-[4-(3-methylbutyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide

C741-1132 Screening compound: N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-3-[4-(3-methylbutyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
C741-1132 Screening compound: N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-3-[4-(3-methylbutyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C741-1132
N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-3-[4-(3-methylbutyl)-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

C741-1132

Molecular Formula

C31H41N7O2 (C31 H41 N7 O2)

Compound Name

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

SMILES

CC(C)CCN(c1nnc(CCC(NCCN(CC2)CCN2c2c(C)c(C)ccc2)=O)n1-c1c2cccc1)C2=O

InChI

InChI=1S/C31H41N7O2/c1-22(2)14-16-37-30(40)25-9-5-6-10-27(25)38-28(33-34-31(37)38)12-13-29(39)32-15-17-35-18-20-36(21-19-35)26-11-7-8-23(3)24(26)4/h5-11,22H,12-21H2,1-4H3,(H,32,39)

InChI Key

WGZNYFFEAUNOHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.71

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

3.644

Distribution Coefficient, logD

3.210

Water Solubility, LogSw

-3.93

Polar Surface Area

71.211

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

7.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.40

C741-1132 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 C741-1132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-1132?
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What is the minimum amount of C741-1132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-1132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-1132
  • 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 C741-1132 available by request