8012-4213 Screening compound: N-[2-(4-chlorophenoxy)ethyl]-4-methylbenzamide

8012-4213 Screening compound: N-[2-(4-chlorophenoxy)ethyl]-4-methylbenzamide
8012-4213 Screening compound: N-[2-(4-chlorophenoxy)ethyl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4213
N-[2-(4-chlorophenoxy)ethyl]-4-methylbenzamide

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

8012-4213

Molecular Formula

C16H16ClNO2 (C16 H16 ClNO2)

Compound Name

N-[2-(4-chlorophenoxy)ethyl]-4-methylbenzamide

IUPAC name

N-[2-(4-chlorophenoxy)ethyl]-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(NCCOc(cc1)ccc1Cl)=O

InChI

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

InChI Key

YPJGXQINGQWEAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02366615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.76

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

4.097

Distribution Coefficient, logD

4.097

Water Solubility, LogSw

-4.45

Polar Surface Area

31.911

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8012-4213 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8012-4213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4213?
Check Price and Availability of 8012-4213, 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 8012-4213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4213
  • 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 8012-4213 available by request