Y030-4576 Screening compound: 2-(4-bromophenyl)-N-(2-phenylethyl)acetamide

Y030-4576 Screening compound: 2-(4-bromophenyl)-N-(2-phenylethyl)acetamide
Y030-4576 Screening compound: 2-(4-bromophenyl)-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-4576
2-(4-bromophenyl)-N-(2-phenylethyl)acetamide

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

Y030-4576

Molecular Formula

C16H16BrNO (C16 H16 BrNO)

Compound Name

2-(4-bromophenyl)-N-(2-phenylethyl)acetamide

IUPAC name

2-(4-bromophenyl)-N-(2-phenylethyl)acetamide

SMILES

O=C(Cc(cc1)ccc1Br)NCCc1ccccc1

InChI

InChI=1S/C16H16BrNO/c17-15-8-6-14(7-9-15)12-16(19)18-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,18,19)

InChI Key

NMPPBQVIVRLGJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01326804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.21

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.181

Distribution Coefficient, logD

3.181

Water Solubility, LogSw

-3.18

Polar Surface Area

24.280

Acid Dissociation Constant (pKa)

13.96

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

Y030-4576 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Glucocorticoid receptors Library (4806 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y030-4576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-4576?
Check Price and Availability of Y030-4576, 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 Y030-4576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-4576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-4576
  • 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 Y030-4576 available by request