5821-0195 Screening compound: 1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 2-chlorobenzoate

5821-0195 Screening compound: 1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 2-chlorobenzoate
5821-0195 Screening compound: 1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 2-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5821-0195
1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 2-chlorobenzoate

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

5821-0195

Molecular Formula

C17H24ClNO2 (C17 H24 ClNO2)

Compound Name

1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 2-chlorobenzoate

IUPAC name

1-(26-dimethylpiperidin-1-yl)propan-2-yl 2-chlorobenzoate

SMILES

CC(CN1C(C)CCCC1C)OC(c(cccc1)c1Cl)=O

InChI

InChI=1S/C17H24ClNO2/c1-12-7-6-8-13(2)19(12)11-14(3)21-17(20)15-9-4-5-10-16(15)18/h4-5,9-10,12-14H,6-8,11H2,1-3H3

InChI Key

UZHMQBMKYWOFAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03828185

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

309.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.325

Distribution Coefficient, logD

2.986

Water Solubility, LogSw

-4.46

Polar Surface Area

22.842

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

8.72

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

58.80

5821-0195 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Structure:
  • Pool
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5821-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5821-0195?
Check Price and Availability of 5821-0195, 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 5821-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5821-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5821-0195
  • 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 5821-0195 available by request