4095-0030 Screening compound: 2-[(4-piperidino-2-butynyl)oxy]-1-ethanol

4095-0030 Screening compound: 2-[(4-piperidino-2-butynyl)oxy]-1-ethanol
4095-0030 Screening compound: 2-[(4-piperidino-2-butynyl)oxy]-1-ethanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4095-0030
2-[(4-piperidino-2-butynyl)oxy]-1-ethanol

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

4095-0030

Molecular Formula

C11H19NO2 (C11 H19 NO2)

Compound Name

2-[(4-piperidino-2-butynyl)oxy]-1-ethanol

IUPAC name

2-{[4-(piperidin-1-yl)but-2-yn-1-yl]oxy}ethan-1-ol

SMILES

OCCOCC#CCN1CCCCC1

InChI

InChI=1S/C11H19NO2/c13-9-11-14-10-5-4-8-12-6-2-1-3-7-12/h13H,1-3,6-11H2

InChI Key

OJWJGBLTRWIARL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00831174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

197.28

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

0.384

Distribution Coefficient, logD

0.016

Water Solubility, LogSw

-0.01

Polar Surface Area

29.148

Acid Dissociation Constant (pKa)

13.67

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

81.82

4095-0030 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4095-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4095-0030?
Check Price and Availability of 4095-0030, 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 4095-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4095-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4095-0030
  • 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 4095-0030 available by request