8018-1624 Screening compound: 1-phenyl-4-[2-(pyridin-3-yl)piperidin-1-yl]but-2-yn-1-ol

8018-1624 Screening compound: 1-phenyl-4-[2-(pyridin-3-yl)piperidin-1-yl]but-2-yn-1-ol
8018-1624 Screening compound: 1-phenyl-4-[2-(pyridin-3-yl)piperidin-1-yl]but-2-yn-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1624
1-phenyl-4-[2-(pyridin-3-yl)piperidin-1-yl]but-2-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

8018-1624

Molecular Formula

C20H22N2O (C20 H22 N2 O)

Compound Name

1-phenyl-4-[2-(pyridin-3-yl)piperidin-1-yl]but-2-yn-1-ol

IUPAC name

1-phenyl-4-[2-(pyridin-3-yl)piperidin-1-yl]but-2-yn-1-ol

SMILES

OC(c1ccccc1)C#CCN(CCCC1)C1c1cnccc1

InChI

InChI=1S/C20H22N2O/c23-20(17-8-2-1-3-9-17)12-7-15-22-14-5-4-11-19(22)18-10-6-13-21-16-18/h1-3,6,8-10,13,16,19-20,23H,4-5,11,14-15H2

InChI Key

ZDUIFRUINDFUOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06652435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.509

Distribution Coefficient, logD

2.495

Water Solubility, LogSw

-1.70

Polar Surface Area

29.207

Acid Dissociation Constant (pKa)

14.80

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

8018-1624 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Soluble Diversity Library (15920 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-1624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1624?
Check Price and Availability of 8018-1624, 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 8018-1624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1624
  • 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 8018-1624 available by request