8010-7745 Screening compound: 2-(2-hydroxybenzyl)-3-quinuclidinone

8010-7745 Screening compound: 2-(2-hydroxybenzyl)-3-quinuclidinone
8010-7745 Screening compound: 2-(2-hydroxybenzyl)-3-quinuclidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-7745
2-(2-hydroxybenzyl)-3-quinuclidinone

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

8010-7745

Molecular Formula

C14H17NO2 (C14 H17 NO2)

Compound Name

2-(2-hydroxybenzyl)-3-quinuclidinone

IUPAC name

2-[(2-hydroxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one

SMILES

Oc1c(CC2N(CC3)CCC3C2=O)cccc1

InChI

InChI=1S/C14H17NO2/c16-13-4-2-1-3-11(13)9-12-14(17)10-5-7-15(12)8-6-10/h1-4,10,12,16H,5-9H2/t12-/m0/s1

InChI Key

OKDLAMMIKZVDRP-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD02039823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

231.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.713

Distribution Coefficient, logD

1.690

Water Solubility, LogSw

-1.86

Polar Surface Area

33.192

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

8010-7745 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8010-7745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-7745?
Check Price and Availability of 8010-7745, 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 8010-7745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-7745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-7745
  • 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 8010-7745 available by request