D117-0016 Screening compound: 3-(4-ethoxyphenyl)-1-(morpholin-4-yl)-2,5-diphenylpentan-3-ol

D117-0016 Screening compound: 3-(4-ethoxyphenyl)-1-(morpholin-4-yl)-2,5-diphenylpentan-3-ol
D117-0016 Screening compound: 3-(4-ethoxyphenyl)-1-(morpholin-4-yl)-2,5-diphenylpentan-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D117-0016
3-(4-ethoxyphenyl)-1-(morpholin-4-yl)-2,5-diphenylpentan-3-ol

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

D117-0016

Molecular Formula

C29H35NO3 (C29 H35 NO3)

Compound Name

3-(4-ethoxyphenyl)-1-(morpholin-4-yl)-2,5-diphenylpentan-3-ol

IUPAC name

3-(4-ethoxyphenyl)-1-(morpholin-4-yl)-25-diphenylpentan-3-ol

SMILES

CCOc1ccc(C(CCc2ccccc2)(C(CN2CCOCC2)c2ccccc2)O)cc1

InChI

InChI=1S/C29H35NO3/c1-2-33-27-15-13-26(14-16-27)29(31,18-17-24-9-5-3-6-10-24)28(25-11-7-4-8-12-25)23-30-19-21-32-22-20-30/h3-16,28,31H,2,17-23H2,1H3

InChI Key

AOLCPUKPAQWQSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812099

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

445.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.614

Distribution Coefficient, logD

5.599

Water Solubility, LogSw

-5.52

Polar Surface Area

33.996

Acid Dissociation Constant (pKa)

15.65

Base Dissociation Constant (pKb)

5.94

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.90

D117-0016 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with D117-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D117-0016?
Check Price and Availability of D117-0016, 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 D117-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D117-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D117-0016
  • 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 D117-0016 available by request