8018-1654 Screening compound: ethyl 6-[2-(3-pyridyl)piperidino]-4-hexynoate

8018-1654 Screening compound: ethyl 6-[2-(3-pyridyl)piperidino]-4-hexynoate
8018-1654 Screening compound: ethyl 6-[2-(3-pyridyl)piperidino]-4-hexynoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1654
ethyl 6-[2-(3-pyridyl)piperidino]-4-hexynoate

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

8018-1654

Molecular Formula

C18H24N2O2 (C18 H24 N2 O2)

Compound Name

ethyl 6-[2-(3-pyridyl)piperidino]-4-hexynoate

IUPAC name

ethyl 6-[2-(pyridin-3-yl)piperidin-1-yl]hex-4-ynoate

SMILES

CCOC(CCC#CCN(CCCC1)C1c1cnccc1)=O

InChI

InChI=1S/C18H24N2O2/c1-2-22-18(21)11-4-3-6-13-20-14-7-5-10-17(20)16-9-8-12-19-15-16/h8-9,12,15,17H,2,4-5,7,10-11,13-14H2,1H3/t17-/m0/s1

InChI Key

BIBIFLHHXCYPJK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD06766376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.367

Distribution Coefficient, logD

2.358

Water Solubility, LogSw

-1.92

Polar Surface Area

33.486

Acid Dissociation Constant (pKa)

22.06

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

8018-1654 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 8018-1654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1654?
Check Price and Availability of 8018-1654, 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 8018-1654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1654
  • 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 8018-1654 available by request