D462-0166 Screening compound: N-[(4-methylphenyl)(pyridin-3-yl)methyl]-2-phenylacetamide

D462-0166 Screening compound: N-[(4-methylphenyl)(pyridin-3-yl)methyl]-2-phenylacetamide
D462-0166 Screening compound: N-[(4-methylphenyl)(pyridin-3-yl)methyl]-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D462-0166
N-[(4-methylphenyl)(pyridin-3-yl)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

D462-0166

Molecular Formula

C21H20N2O (C21 H20 N2 O)

Compound Name

N-[(4-methylphenyl)(pyridin-3-yl)methyl]-2-phenylacetamide

IUPAC name

N-[(4-methylphenyl)(pyridin-3-yl)methyl]-2-phenylacetamide

SMILES

Cc1ccc(C(c2cnccc2)NC(Cc2ccccc2)=O)cc1

InChI

InChI=1S/C21H20N2O/c1-16-9-11-18(12-10-16)21(19-8-5-13-22-15-19)23-20(24)14-17-6-3-2-4-7-17/h2-13,15,21H,14H2,1H3,(H,23,24)/t21-/m0/s1

InChI Key

YLRISCFCWGCKCW-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14830026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.306

Distribution Coefficient, logD

3.305

Water Solubility, LogSw

-3.20

Polar Surface Area

33.037

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

D462-0166 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D462-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D462-0166?
Check Price and Availability of D462-0166, 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 D462-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D462-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D462-0166
  • 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 D462-0166 available by request