D025-0061 Screening compound: 1-(4-ethylphenyl)-1-(2-methoxyphenyl)-3-(morpholin-4-yl)-2-phenylpropan-1-ol

D025-0061 Screening compound: 1-(4-ethylphenyl)-1-(2-methoxyphenyl)-3-(morpholin-4-yl)-2-phenylpropan-1-ol
D025-0061 Screening compound: 1-(4-ethylphenyl)-1-(2-methoxyphenyl)-3-(morpholin-4-yl)-2-phenylpropan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D025-0061
1-(4-ethylphenyl)-1-(2-methoxyphenyl)-3-(morpholin-4-yl)-2-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

D025-0061

Molecular Formula

C28H33NO3 (C28 H33 NO3)

Compound Name

1-(4-ethylphenyl)-1-(2-methoxyphenyl)-3-(morpholin-4-yl)-2-phenylpropan-1-ol

IUPAC name

1-(4-ethylphenyl)-1-(2-methoxyphenyl)-3-(morpholin-4-yl)-2-phenylpropan-1-ol

SMILES

CCc1ccc(C(C(CN2CCOCC2)c2ccccc2)(c(cccc2)c2OC)O)cc1

InChI

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

InChI Key

XPSIKVKQGXEMJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811065

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

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.229

Distribution Coefficient, logD

5.210

Water Solubility, LogSw

-4.96

Polar Surface Area

34.035

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

6.06

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.70

D025-0061 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D025-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D025-0061?
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What is the minimum amount of D025-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D025-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D025-0061
  • 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 D025-0061 available by request