4145-0029 Screening compound: 1-cyclohexyl-1-(4-methoxyphenyl)-3-(piperidin-1-yl)propan-1-ol

4145-0029 Screening compound: 1-cyclohexyl-1-(4-methoxyphenyl)-3-(piperidin-1-yl)propan-1-ol
4145-0029 Screening compound: 1-cyclohexyl-1-(4-methoxyphenyl)-3-(piperidin-1-yl)propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4145-0029
1-cyclohexyl-1-(4-methoxyphenyl)-3-(piperidin-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

4145-0029

Molecular Formula

C21H33NO2 (C21 H33 NO2)

Compound Name

1-cyclohexyl-1-(4-methoxyphenyl)-3-(piperidin-1-yl)propan-1-ol

IUPAC name

1-cyclohexyl-1-(4-methoxyphenyl)-3-(piperidin-1-yl)propan-1-ol

SMILES

COc1ccc(C(CCN2CCCCC2)(C2CCCCC2)O)cc1

InChI

InChI=1S/C21H33NO2/c1-24-20-12-10-19(11-13-20)21(23,18-8-4-2-5-9-18)14-17-22-15-6-3-7-16-22/h10-13,18,23H,2-9,14-17H2,1H3/t21-/m0/s1

InChI Key

FLQKREVCPVXWBI-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00698246

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

331.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.443

Distribution Coefficient, logD

2.988

Water Solubility, LogSw

-4.04

Polar Surface Area

26.949

Acid Dissociation Constant (pKa)

15.49

Base Dissociation Constant (pKb)

8.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.40

4145-0029 in Drug Discovery

Included in Screening Libraries

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

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with 4145-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4145-0029?
Check Price and Availability of 4145-0029, 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 4145-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4145-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4145-0029
  • 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 4145-0029 available by request