D218-0009 Screening compound: 2-chloro-N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]benzamide

D218-0009 Screening compound: 2-chloro-N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]benzamide
D218-0009 Screening compound: 2-chloro-N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D218-0009
2-chloro-N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]benzamide

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

D218-0009

Molecular Formula

C20H23ClN2O2 (C20 H23 ClN2 O2)

Compound Name

2-chloro-N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]benzamide

IUPAC name

2-chloro-N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]benzamide

SMILES

COc1ccc(C(CNC(c(cccc2)c2Cl)=O)N2CCCC2)cc1

InChI

InChI=1S/C20H23ClN2O2/c1-25-16-10-8-15(9-11-16)19(23-12-4-5-13-23)14-22-20(24)17-6-2-3-7-18(17)21/h2-3,6-11,19H,4-5,12-14H2,1H3,(H,22,24)/t19-/m0/s1

InChI Key

QHAPNGLKGXBEHN-IBGZPJMESA-N

MDL Number (MFCD)

MFCD09357769

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

358.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.692

Distribution Coefficient, logD

3.390

Water Solubility, LogSw

-4.05

Polar Surface Area

35.551

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

D218-0009 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with D218-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D218-0009?
Check Price and Availability of D218-0009, 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 D218-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D218-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D218-0009
  • 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 D218-0009 available by request