C741-1045 Screening compound: N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-3-[4-(2-methylpropyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide

C741-1045 Screening compound: N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-3-[4-(2-methylpropyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
C741-1045 Screening compound: N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-3-[4-(2-methylpropyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C741-1045
N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-3-[4-(2-methylpropyl)-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

C741-1045

Molecular Formula

C30H39N7O2 (C30 H39 N7 O2)

Compound Name

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

SMILES

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

InChI

InChI=1S/C30H39N7O2/c1-21(2)20-36-29(39)24-9-5-6-10-26(24)37-27(32-33-30(36)37)12-13-28(38)31-14-15-34-16-18-35(19-17-34)25-11-7-8-22(3)23(25)4/h5-11,21H,12-20H2,1-4H3,(H,31,38)

InChI Key

CFSVFIOIEZBRQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.306

Distribution Coefficient, logD

2.872

Water Solubility, LogSw

-3.76

Polar Surface Area

71.233

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

7.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

C741-1045 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 C741-1045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-1045?
Check Price and Availability of C741-1045, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C741-1045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-1045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-1045
  • 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 C741-1045 available by request