6228-0261 Screening compound: 1-(1-azepanyl)-3-phenoxy-2-propanol

6228-0261 Screening compound: 1-(1-azepanyl)-3-phenoxy-2-propanol
6228-0261 Screening compound: 1-(1-azepanyl)-3-phenoxy-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-0261
1-(1-azepanyl)-3-phenoxy-2-propanol

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

6228-0261

Molecular Formula

C15H23NO2 (C15 H23 NO2)

Compound Name

1-(1-azepanyl)-3-phenoxy-2-propanol

IUPAC name

n/a

SMILES

OC(CN1CCCCCC1)COc1ccccc1

InChI

InChI=1S/C15H23NO2/c17-14(12-16-10-6-1-2-7-11-16)13-18-15-8-4-3-5-9-15/h3-5,8-9,14,17H,1-2,6-7,10-13H2/t14-/m0/s1

InChI Key

NXZKFCZCQDMCGP-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00451337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.911

Distribution Coefficient, logD

1.563

Water Solubility, LogSw

-2.91

Polar Surface Area

28.421

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

8.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

6228-0261 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6228-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-0261?
Check Price and Availability of 6228-0261, 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 6228-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-0261
  • 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 6228-0261 available by request