5821-0099 Screening compound: 2-(piperidin-1-yl)ethyl 4-tert-butylbenzoate

5821-0099 Screening compound: 2-(piperidin-1-yl)ethyl 4-tert-butylbenzoate
5821-0099 Screening compound: 2-(piperidin-1-yl)ethyl 4-tert-butylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5821-0099
2-(piperidin-1-yl)ethyl 4-tert-butylbenzoate

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

5821-0099

Molecular Formula

C18H27NO2 (C18 H27 NO2)

Compound Name

2-(piperidin-1-yl)ethyl 4-tert-butylbenzoate

IUPAC name

2-(piperidin-1-yl)ethyl 4-tert-butylbenzoate

SMILES

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

InChI

InChI=1S/C18H27NO2/c1-18(2,3)16-9-7-15(8-10-16)17(20)21-14-13-19-11-5-4-6-12-19/h7-10H,4-6,11-14H2,1-3H3

InChI Key

BYQJGVNTEVSHNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03828179

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

289.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.868

Distribution Coefficient, logD

4.009

Water Solubility, LogSw

-4.48

Polar Surface Area

24.997

Acid Dissociation Constant (pKa)

28.05

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

5821-0099 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
  • 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 5821-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5821-0099?
Check Price and Availability of 5821-0099, 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 5821-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5821-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5821-0099
  • 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 5821-0099 available by request