6117-0176 Screening compound: 2-(piperidin-1-yl)ethyl 4-(2-methylpropoxy)benzoate

6117-0176 Screening compound: 2-(piperidin-1-yl)ethyl 4-(2-methylpropoxy)benzoate
6117-0176 Screening compound: 2-(piperidin-1-yl)ethyl 4-(2-methylpropoxy)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6117-0176
2-(piperidin-1-yl)ethyl 4-(2-methylpropoxy)benzoate

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

6117-0176

Molecular Formula

C18H27NO3 (C18 H27 NO3)

Compound Name

2-(piperidin-1-yl)ethyl 4-(2-methylpropoxy)benzoate

IUPAC name

2-(piperidin-1-yl)ethyl 4-(2-methylpropoxy)benzoate

SMILES

CC(C)COc(cc1)ccc1C(OCCN1CCCCC1)=O

InChI

InChI=1S/C18H27NO3/c1-15(2)14-22-17-8-6-16(7-9-17)18(20)21-13-12-19-10-4-3-5-11-19/h6-9,15H,3-5,10-14H2,1-2H3

InChI Key

OHEUTBUXVKXVFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03828490

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

305.42

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

4.355

Distribution Coefficient, logD

3.497

Water Solubility, LogSw

-4.00

Polar Surface Area

32.496

Acid Dissociation Constant (pKa)

25.13

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

6117-0176 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Proteases

References: we are preparing a list of scientific research reports with 6117-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6117-0176?
Check Price and Availability of 6117-0176, 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 6117-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6117-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6117-0176
  • 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 6117-0176 available by request