D117-0056 Screening compound: 1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-2-phenyl-3-(pyrrolidin-1-yl)propan-1-ol

D117-0056 Screening compound: 1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-2-phenyl-3-(pyrrolidin-1-yl)propan-1-ol
D117-0056 Screening compound: 1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-2-phenyl-3-(pyrrolidin-1-yl)propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D117-0056
1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-2-phenyl-3-(pyrrolidin-1-yl)propan-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

D117-0056

Molecular Formula

C28H33NO3 (C28 H33 NO3)

Compound Name

1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-2-phenyl-3-(pyrrolidin-1-yl)propan-1-ol

IUPAC name

1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-2-phenyl-3-(pyrrolidin-1-yl)propan-1-ol

SMILES

CCOc1ccc(C(C(CN2CCCC2)c2ccccc2)(c(cccc2)c2OC)O)cc1

InChI

InChI=1S/C28H33NO3/c1-3-32-24-17-15-23(16-18-24)28(30,25-13-7-8-14-27(25)31-2)26(21-29-19-9-10-20-29)22-11-5-4-6-12-22/h4-8,11-18,26,30H,3,9-10,19-21H2,1-2H3

InChI Key

ZDJGXDXVDUHJFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812120

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

431.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.309

Distribution Coefficient, logD

3.760

Water Solubility, LogSw

-5.13

Polar Surface Area

33.616

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

8.94

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.70

D117-0056 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Autophagy-Targeted Library (4564 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D117-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D117-0056?
Check Price and Availability of D117-0056, 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 D117-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D117-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D117-0056
  • 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 D117-0056 available by request