8020-1243 Screening compound: N-{[5-(3-chlorophenyl)furan-2-yl]methyl}-1-azabicyclo[2.2.2]octan-3-amine

8020-1243 Screening compound: N-{[5-(3-chlorophenyl)furan-2-yl]methyl}-1-azabicyclo[2.2.2]octan-3-amine
8020-1243 Screening compound: N-{[5-(3-chlorophenyl)furan-2-yl]methyl}-1-azabicyclo[2.2.2]octan-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1243
N-{[5-(3-chlorophenyl)furan-2-yl]methyl}-1-azabicyclo[2.2.2]octan-3-amine

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

8020-1243

Molecular Formula

C18H21ClN2O (C18 H21 ClN2 O)

Compound Name

N-{[5-(3-chlorophenyl)furan-2-yl]methyl}-1-azabicyclo[2.2.2]octan-3-amine

IUPAC name

N-{[5-(3-chlorophenyl)furan-2-yl]methyl}-1-azabicyclo[2.2.2]octan-3-amine

SMILES

Clc1cc(-c2ccc(CNC3C(CC4)CCN4C3)o2)ccc1

InChI

InChI=1S/C18H21ClN2O/c19-15-3-1-2-14(10-15)18-5-4-16(22-18)11-20-17-12-21-8-6-13(17)7-9-21/h1-5,10,13,17,20H,6-9,11-12H2/t17-/m0/s1

InChI Key

QJJSFJPIINFRGM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD09189929

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

316.83

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.389

Distribution Coefficient, logD

0.632

Water Solubility, LogSw

-3.83

Polar Surface Area

22.580

Acid Dissociation Constant (pKa)

26.07

Base Dissociation Constant (pKb)

10.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

8020-1243 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Anti-HIV1 Library (19540 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8020-1243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1243?
Check Price and Availability of 8020-1243, 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 8020-1243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1243
  • 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 8020-1243 available by request