D218-0095 Screening compound: 2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]acetamide

D218-0095 Screening compound: 2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]acetamide
D218-0095 Screening compound: 2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D218-0095
2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]acetamide

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

D218-0095

Molecular Formula

C21H25ClN2O2 (C21 H25 ClN2 O2)

Compound Name

2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]acetamide

IUPAC name

2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]acetamide

SMILES

COc1ccc(C(CNC(Cc(cc2)ccc2Cl)=O)N2CCCC2)cc1

InChI

InChI=1S/C21H25ClN2O2/c1-26-19-10-6-17(7-11-19)20(24-12-2-3-13-24)15-23-21(25)14-16-4-8-18(22)9-5-16/h4-11,20H,2-3,12-15H2,1H3,(H,23,25)/t20-/m0/s1

InChI Key

LFSGPAYFZBTLNW-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD06385434

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

372.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.324

Distribution Coefficient, logD

2.431

Water Solubility, LogSw

-4.03

Polar Surface Area

35.337

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

8.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

D218-0095 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with D218-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D218-0095?
Check Price and Availability of D218-0095, 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 D218-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D218-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D218-0095
  • 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 D218-0095 available by request