3220-0016 Screening compound: 1-cyclohexyl-1-phenyl-5-(piperidin-1-yl)pent-3-yn-1-ol

3220-0016 Screening compound: 1-cyclohexyl-1-phenyl-5-(piperidin-1-yl)pent-3-yn-1-ol
3220-0016 Screening compound: 1-cyclohexyl-1-phenyl-5-(piperidin-1-yl)pent-3-yn-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3220-0016
1-cyclohexyl-1-phenyl-5-(piperidin-1-yl)pent-3-yn-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

3220-0016

Molecular Formula

C22H31NO (C22 H31 NO)

Compound Name

1-cyclohexyl-1-phenyl-5-(piperidin-1-yl)pent-3-yn-1-ol

IUPAC name

1-cyclohexyl-1-phenyl-5-(piperidin-1-yl)pent-3-yn-1-ol

SMILES

OC(CC#CCN1CCCCC1)(C1CCCCC1)c1ccccc1

InChI

InChI=1S/C22H31NO/c24-22(20-12-4-1-5-13-20,21-14-6-2-7-15-21)16-8-11-19-23-17-9-3-10-18-23/h1,4-5,12-13,21,24H,2-3,6-7,9-10,14-19H2/t22-/m1/s1

InChI Key

QZXZGJRMQFZVOV-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD01859379

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

325.49

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.711

Distribution Coefficient, logD

4.411

Water Solubility, LogSw

-4.33

Polar Surface Area

19.406

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.60

3220-0016 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3220-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3220-0016?
Check Price and Availability of 3220-0016, 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 3220-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3220-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3220-0016
  • 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 3220-0016 available by request