2159-0434 Screening compound: N-benzyl-2-(2-chlorophenoxy)-N-methylacetamide

2159-0434 Screening compound: N-benzyl-2-(2-chlorophenoxy)-N-methylacetamide
2159-0434 Screening compound: N-benzyl-2-(2-chlorophenoxy)-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2159-0434
N-benzyl-2-(2-chlorophenoxy)-N-methylacetamide

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

2159-0434

Molecular Formula

C16H16ClNO2 (C16 H16 ClNO2)

Compound Name

N-benzyl-2-(2-chlorophenoxy)-N-methylacetamide

IUPAC name

N-benzyl-2-(2-chlorophenoxy)-N-methylacetamide

SMILES

CN(Cc1ccccc1)C(COc(cccc1)c1Cl)=O

InChI

InChI=1S/C16H16ClNO2/c1-18(11-13-7-3-2-4-8-13)16(19)12-20-15-10-6-5-9-14(15)17/h2-10H,11-12H2,1H3

InChI Key

HMZNNUFKNWPALX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01180769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.76

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

3.439

Distribution Coefficient, logD

3.439

Water Solubility, LogSw

-3.55

Polar Surface Area

23.447

Acid Dissociation Constant (pKa)

24.07

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

2159-0434 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 2159-0434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2159-0434?
Check Price and Availability of 2159-0434, 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 2159-0434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2159-0434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2159-0434
  • 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 2159-0434 available by request