D090-0173 Screening compound: N-{1-azabicyclo[2.2.2]octan-3-yl}-2-(4-chlorophenoxy)acetamide

D090-0173 Screening compound: N-{1-azabicyclo[2.2.2]octan-3-yl}-2-(4-chlorophenoxy)acetamide
D090-0173 Screening compound: N-{1-azabicyclo[2.2.2]octan-3-yl}-2-(4-chlorophenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D090-0173
N-{1-azabicyclo[2.2.2]octan-3-yl}-2-(4-chlorophenoxy)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

D090-0173

Molecular Formula

C15H19ClN2O2 (C15 H19 ClN2 O2)

Compound Name

N-{1-azabicyclo[2.2.2]octan-3-yl}-2-(4-chlorophenoxy)acetamide

IUPAC name

N-{1-azabicyclo[2.2.2]octan-3-yl}-2-(4-chlorophenoxy)acetamide

SMILES

O=C(COc(cc1)ccc1Cl)NC1C(CC2)CCN2C1

InChI

InChI=1S/C15H19ClN2O2/c16-12-1-3-13(4-2-12)20-10-15(19)17-14-9-18-7-5-11(14)6-8-18/h1-4,11,14H,5-10H2,(H,17,19)

InChI Key

IYTACMQBGIPOIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00717702

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

294.78

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.049

Distribution Coefficient, logD

-0.128

Water Solubility, LogSw

-2.81

Polar Surface Area

35.153

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

9.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.30

D090-0173 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Soluble Diversity Library (15920 compounds)

Anti-HIV1 Library (19540 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal
Targets:
  • GPCR
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D090-0173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D090-0173?
Check Price and Availability of D090-0173, 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 D090-0173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D090-0173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D090-0173
  • 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 D090-0173 available by request