D168-0024 Screening compound: 1-cyclohexyl-1-(4-methoxyphenyl)-2-phenyl-3-(pyrrolidin-1-yl)propan-1-ol

D168-0024 Screening compound: 1-cyclohexyl-1-(4-methoxyphenyl)-2-phenyl-3-(pyrrolidin-1-yl)propan-1-ol
D168-0024 Screening compound: 1-cyclohexyl-1-(4-methoxyphenyl)-2-phenyl-3-(pyrrolidin-1-yl)propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D168-0024
1-cyclohexyl-1-(4-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

D168-0024

Molecular Formula

C26H35NO2 (C26 H35 NO2)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(C(C(CN2CCCC2)c2ccccc2)(C2CCCCC2)O)cc1

InChI

InChI=1S/C26H35NO2/c1-29-24-16-14-23(15-17-24)26(28,22-12-6-3-7-13-22)25(20-27-18-8-9-19-27)21-10-4-2-5-11-21/h2,4-5,10-11,14-17,22,25,28H,3,6-9,12-13,18-20H2,1H3

InChI Key

LBSIRYRCMMQUAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813447

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

393.57

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.807

Distribution Coefficient, logD

4.734

Water Solubility, LogSw

-5.45

Polar Surface Area

26.598

Acid Dissociation Constant (pKa)

15.49

Base Dissociation Constant (pKb)

8.44

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.80

D168-0024 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with D168-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D168-0024?
Check Price and Availability of D168-0024, 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 D168-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D168-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D168-0024
  • 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 D168-0024 available by request