C730-0456 Screening compound: N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

C730-0456 Screening compound: N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
C730-0456 Screening compound: N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C730-0456
N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

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

C730-0456

Molecular Formula

C25H30N4O3 (C25 H30 N4 O3)

Compound Name

N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

IUPAC name

N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

SMILES

Cc1c(C(C(NCCCN(CC2)CCN2c(cc2)ccc2OC)=O)=O)c(cccc2)c2[nH]1

InChI

InChI=1S/C25H30N4O3/c1-18-23(21-6-3-4-7-22(21)27-18)24(30)25(31)26-12-5-13-28-14-16-29(17-15-28)19-8-10-20(32-2)11-9-19/h3-4,6-11,27H,5,12-17H2,1-2H3,(H,26,31)

InChI Key

POJALPLVTTTWML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05898310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.965

Distribution Coefficient, logD

2.421

Water Solubility, LogSw

-3.38

Polar Surface Area

62.944

Acid Dissociation Constant (pKa)

12.93

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C730-0456 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C730-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C730-0456?
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What is the minimum amount of C730-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C730-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C730-0456
  • 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 C730-0456 available by request