D117-0013 Screening compound: 1-(4-methoxyphenyl)-3-(morpholin-4-yl)-1-phenylpropan-1-ol

D117-0013 Screening compound: 1-(4-methoxyphenyl)-3-(morpholin-4-yl)-1-phenylpropan-1-ol
D117-0013 Screening compound: 1-(4-methoxyphenyl)-3-(morpholin-4-yl)-1-phenylpropan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D117-0013
1-(4-methoxyphenyl)-3-(morpholin-4-yl)-1-phenylpropan-1-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

D117-0013

Molecular Formula

C20H25NO3 (C20 H25 NO3)

Compound Name

1-(4-methoxyphenyl)-3-(morpholin-4-yl)-1-phenylpropan-1-ol

IUPAC name

1-(4-methoxyphenyl)-3-(morpholin-4-yl)-1-phenylpropan-1-ol

SMILES

COc1ccc(C(CCN2CCOCC2)(c2ccccc2)O)cc1

InChI

InChI=1S/C20H25NO3/c1-23-19-9-7-18(8-10-19)20(22,17-5-3-2-4-6-17)11-12-21-13-15-24-16-14-21/h2-10,22H,11-16H2,1H3/t20-/m0/s1

InChI Key

HIXITYNFFXCAKX-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14812097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.717

Distribution Coefficient, logD

2.605

Water Solubility, LogSw

-2.73

Polar Surface Area

34.666

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

D117-0013 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Soluble Diversity Library (15920 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
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D117-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D117-0013?
Check Price and Availability of D117-0013, 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 D117-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D117-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D117-0013
  • 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 D117-0013 available by request