8016-8914 Screening compound: 5-[(2S)-2-(3-pyridyl)tetrahydro-1(2H)-pyridinyl]-3-pentyn-1-ol

8016-8914 Screening compound: 5-[(2S)-2-(3-pyridyl)tetrahydro-1(2H)-pyridinyl]-3-pentyn-1-ol
8016-8914 Screening compound: 5-[(2S)-2-(3-pyridyl)tetrahydro-1(2H)-pyridinyl]-3-pentyn-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8914
5-[(2S)-2-(3-pyridyl)tetrahydro-1(2H)-pyridinyl]-3-pentyn-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

8016-8914

Molecular Formula

C15H20N2O (C15 H20 N2 O)

Compound Name

5-[(2S)-2-(3-pyridyl)tetrahydro-1(2H)-pyridinyl]-3-pentyn-1-ol

IUPAC name

5-[(2S)-2-(pyridin-3-yl)piperidin-1-yl]pent-3-yn-1-ol

SMILES

OCCC#CCN(CCCC1)C1c1cnccc1

InChI

InChI=1S/C15H20N2O/c18-12-5-1-3-10-17-11-4-2-8-15(17)14-7-6-9-16-13-14/h6-7,9,13,15,18H,2,4-5,8,10-12H2/t15-/m0/s1

InChI Key

MRVBVDZIMYCBGU-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

244.34

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

0.997

Distribution Coefficient, logD

0.982

Water Solubility, LogSw

-0.39

Polar Surface Area

29.982

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.33

8016-8914 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-8914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8914?
Check Price and Availability of 8016-8914, 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 8016-8914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8914
  • 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 8016-8914 available by request