8016-8329 Screening compound: 2-methyl-5-[(2S)-2-(3-pyridyl)tetrahydro-1(2H)-pyridinyl]-3-pentyn-2-ol

8016-8329 Screening compound: 2-methyl-5-[(2S)-2-(3-pyridyl)tetrahydro-1(2H)-pyridinyl]-3-pentyn-2-ol
8016-8329 Screening compound: 2-methyl-5-[(2S)-2-(3-pyridyl)tetrahydro-1(2H)-pyridinyl]-3-pentyn-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8329
2-methyl-5-[(2S)-2-(3-pyridyl)tetrahydro-1(2H)-pyridinyl]-3-pentyn-2-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

8016-8329

Molecular Formula

C16H22N2O (C16 H22 N2 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C#CCN(CCCC1)C1c1cnccc1)O

InChI

InChI=1S/C16H22N2O/c1-16(2,19)9-6-12-18-11-4-3-8-15(18)14-7-5-10-17-13-14/h5,7,10,13,15,19H,3-4,8,11-12H2,1-2H3/t15-/m0/s1

InChI Key

PQTFYRDCILTAGW-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

258.36

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

1.970

Distribution Coefficient, logD

1.961

Water Solubility, LogSw

-0.94

Polar Surface Area

29.514

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.25

8016-8329 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 8016-8329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8329?
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What is the minimum amount of 8016-8329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8329
  • 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 8016-8329 available by request