8001-4316 Screening compound: N-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide

8001-4316 Screening compound: N-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
8001-4316 Screening compound: N-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-4316
N-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide

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

8001-4316

Molecular Formula

C21H27N3O2 (C21 H27 N3 O2)

Compound Name

N-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide

IUPAC name

N-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide

SMILES

CCOc(cc1)ccc1NC(CCN(CC1)CCN1c1ccccc1)=O

InChI

InChI=1S/C21H27N3O2/c1-2-26-20-10-8-18(9-11-20)22-21(25)12-13-23-14-16-24(17-15-23)19-6-4-3-5-7-19/h3-11H,2,12-17H2,1H3,(H,22,25)

InChI Key

PBPKXTAUPIMJLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00731817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.231

Distribution Coefficient, logD

3.183

Water Solubility, LogSw

-3.35

Polar Surface Area

37.483

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

6.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

8001-4316 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8001-4316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-4316?
Check Price and Availability of 8001-4316, 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 8001-4316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-4316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-4316
  • 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 8001-4316 available by request