6228-0384 Screening compound: 1-(2-hydroxy-3-phenoxypropyl)-1-methylazepan-1-ium

6228-0384 Screening compound: 1-(2-hydroxy-3-phenoxypropyl)-1-methylazepan-1-ium
6228-0384 Screening compound: 1-(2-hydroxy-3-phenoxypropyl)-1-methylazepan-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-0384
1-(2-hydroxy-3-phenoxypropyl)-1-methylazepan-1-ium

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

6228-0384

Molecular Formula

C16H26NO2 (C16 H26 NO2)

Compound Name

1-(2-hydroxy-3-phenoxypropyl)-1-methylazepan-1-ium

IUPAC name

1-(2-hydroxy-3-phenoxypropyl)-1-methylazepan-1-ium

SMILES

C[N+]1(CC(COc2ccccc2)O)CCCCCC1

InChI

InChI=1S/C16H26NO2/c1-17(11-7-2-3-8-12-17)13-15(18)14-19-16-9-5-4-6-10-16/h4-6,9-10,15,18H,2-3,7-8,11-14H2,1H3/q+1/t15-/m0/s1

InChI Key

MILWTPJYQQJHOK-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01853282

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

264.39

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.916

Distribution Coefficient, logD

2.916

Water Solubility, LogSw

-2.89

Polar Surface Area

25.095

Acid Dissociation Constant (pKa)

16.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

6228-0384 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6228-0384 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-0384?
Check Price and Availability of 6228-0384, 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 6228-0384 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-0384
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-0384
  • 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 6228-0384 available by request