8005-1617 Screening compound: N-(5-chloro-2-methoxyphenyl)-N-[2-(4-phenylpiperazino)ethyl]propanamide

8005-1617 Screening compound: N-(5-chloro-2-methoxyphenyl)-N-[2-(4-phenylpiperazino)ethyl]propanamide
8005-1617 Screening compound: N-(5-chloro-2-methoxyphenyl)-N-[2-(4-phenylpiperazino)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-1617
N-(5-chloro-2-methoxyphenyl)-N-[2-(4-phenylpiperazino)ethyl]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

8005-1617

Molecular Formula

C22H28ClN3O2 (C22 H28 ClN3 O2)

Compound Name

N-(5-chloro-2-methoxyphenyl)-N-[2-(4-phenylpiperazino)ethyl]propanamide

IUPAC name

N-(5-chloro-2-methoxyphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide

SMILES

CCC(N(CCN(CC1)CCN1c1ccccc1)c(cc(cc1)Cl)c1OC)=O

InChI

InChI=1S/C22H28ClN3O2/c1-3-22(27)26(20-17-18(23)9-10-21(20)28-2)16-13-24-11-14-25(15-12-24)19-7-5-4-6-8-19/h4-10,17H,3,11-16H2,1-2H3

InChI Key

SPUNFQPQWQRILD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00747640

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

401.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.844

Distribution Coefficient, logD

3.841

Water Solubility, LogSw

-4.21

Polar Surface Area

29.884

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

8005-1617 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with 8005-1617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-1617?
Check Price and Availability of 8005-1617, 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 8005-1617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-1617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-1617
  • 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 8005-1617 available by request