8016-6895 Screening compound: 1-{3-[2-(3-pyridyl)piperidino]-1-propynyl}-1-cycloheptanol

8016-6895 Screening compound: 1-{3-[2-(3-pyridyl)piperidino]-1-propynyl}-1-cycloheptanol
8016-6895 Screening compound: 1-{3-[2-(3-pyridyl)piperidino]-1-propynyl}-1-cycloheptanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6895
1-{3-[2-(3-pyridyl)piperidino]-1-propynyl}-1-cycloheptanol

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

8016-6895

Molecular Formula

C20H28N2O (C20 H28 N2 O)

Compound Name

1-{3-[2-(3-pyridyl)piperidino]-1-propynyl}-1-cycloheptanol

IUPAC name

1-{3-[2-(pyridin-3-yl)piperidin-1-yl]prop-1-yn-1-yl}cycloheptan-1-ol

SMILES

OC1(CCCCCC1)C#CCN(CCCC1)C1c1cnccc1

InChI

InChI=1S/C20H28N2O/c23-20(11-4-1-2-5-12-20)13-8-16-22-15-6-3-10-19(22)18-9-7-14-21-17-18/h7,9,14,17,19,23H,1-6,10-12,15-16H2/t19-/m0/s1

InChI Key

QIUQYYZJIZDBNU-IBGZPJMESA-N

MDL Number (MFCD)

MFCD05858365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.392

Distribution Coefficient, logD

3.383

Water Solubility, LogSw

-3.14

Polar Surface Area

29.151

Acid Dissociation Constant (pKa)

15.67

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

8016-6895 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-6895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6895?
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What is the minimum amount of 8016-6895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6895
  • 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 8016-6895 available by request