8017-1873 Screening compound: 1,1-diphenyl-4-[2-(pyridin-3-yl)piperidin-1-yl]but-2-yn-1-ol

8017-1873 Screening compound: 1,1-diphenyl-4-[2-(pyridin-3-yl)piperidin-1-yl]but-2-yn-1-ol
8017-1873 Screening compound: 1,1-diphenyl-4-[2-(pyridin-3-yl)piperidin-1-yl]but-2-yn-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1873
1,1-diphenyl-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

8017-1873

Molecular Formula

C26H26N2O (C26 H26 N2 O)

Compound Name

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

IUPAC name

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

SMILES

OC(c1ccccc1)(c1ccccc1)C#CCN(CCCC1)C1c1cnccc1

InChI

InChI=1S/C26H26N2O/c29-26(23-12-3-1-4-13-23,24-14-5-2-6-15-24)17-10-20-28-19-8-7-16-25(28)22-11-9-18-27-21-22/h1-6,9,11-15,18,21,25,29H,7-8,16,19-20H2/t25-/m0/s1

InChI Key

VFORLDQRPVZGNE-VWLOTQADSA-N

MDL Number (MFCD)

MFCD06014774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.51

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

3.958

Distribution Coefficient, logD

3.946

Water Solubility, LogSw

-3.72

Polar Surface Area

28.319

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

8017-1873 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Regenerative Medicine Focused Library (23016 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:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases
  • 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 8017-1873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1873?
Check Price and Availability of 8017-1873, 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 8017-1873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1873
  • 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 8017-1873 available by request