Y500-8128 Screening compound: 3-[(2,4-dichlorophenoxy)methyl]-N-methyl-N-phenylbenzamide

Y500-8128 Screening compound: 3-[(2,4-dichlorophenoxy)methyl]-N-methyl-N-phenylbenzamide
Y500-8128 Screening compound: 3-[(2,4-dichlorophenoxy)methyl]-N-methyl-N-phenylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-8128
3-[(2,4-dichlorophenoxy)methyl]-N-methyl-N-phenylbenzamide

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

Y500-8128

Molecular Formula

C21H17Cl2NO2 (C21 H17 Cl2 NO2)

Compound Name

3-[(2,4-dichlorophenoxy)methyl]-N-methyl-N-phenylbenzamide

IUPAC name

3-[(24-dichlorophenoxy)methyl]-N-methyl-N-phenylbenzamide

SMILES

CN(C(c1cccc(COc(ccc(Cl)c2)c2Cl)c1)=O)c1ccccc1

InChI

InChI=1S/C21H17Cl2NO2/c1-24(18-8-3-2-4-9-18)21(25)16-7-5-6-15(12-16)14-26-20-11-10-17(22)13-19(20)23/h2-13H,14H2,1H3

InChI Key

POPMMLJGRKTSRD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.952

Distribution Coefficient, logD

4.952

Water Solubility, LogSw

-5.07

Polar Surface Area

22.922

Acid Dissociation Constant (pKa)

29.01

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.52

Y500-8128 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y500-8128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-8128?
Check Price and Availability of Y500-8128, 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 Y500-8128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-8128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-8128
  • 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 Y500-8128 available by request