3460-0054 Screening compound: N-[(8-hydroxyquinolin-7-yl)(4-methylphenyl)methyl]-2-phenylacetamide

3460-0054 Screening compound: N-[(8-hydroxyquinolin-7-yl)(4-methylphenyl)methyl]-2-phenylacetamide
3460-0054 Screening compound: N-[(8-hydroxyquinolin-7-yl)(4-methylphenyl)methyl]-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3460-0054
N-[(8-hydroxyquinolin-7-yl)(4-methylphenyl)methyl]-2-phenylacetamide

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

3460-0054

Molecular Formula

C25H22N2O2 (C25 H22 N2 O2)

Compound Name

N-[(8-hydroxyquinolin-7-yl)(4-methylphenyl)methyl]-2-phenylacetamide

IUPAC name

N-[(8-hydroxyquinolin-7-yl)(4-methylphenyl)methyl]-2-phenylacetamide

SMILES

Cc1ccc(C(c(ccc2cccnc22)c2O)NC(Cc2ccccc2)=O)cc1

InChI

InChI=1S/C25H22N2O2/c1-17-9-11-20(12-10-17)23(27-22(28)16-18-6-3-2-4-7-18)21-14-13-19-8-5-15-26-24(19)25(21)29/h2-15,23,29H,16H2,1H3,(H,27,28)/t23-/m0/s1

InChI Key

SGMUTMBUJAZEJZ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02045699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.505

Distribution Coefficient, logD

4.503

Water Solubility, LogSw

-4.22

Polar Surface Area

48.531

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

3460-0054 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Glucocorticoid receptors Library (4806 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3460-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3460-0054?
Check Price and Availability of 3460-0054, 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 3460-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3460-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3460-0054
  • 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 3460-0054 available by request