4364-0608 Screening compound: 1-methyl-2-piperidinoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate

4364-0608 Screening compound: 1-methyl-2-piperidinoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
4364-0608 Screening compound: 1-methyl-2-piperidinoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4364-0608
1-methyl-2-piperidinoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate

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

4364-0608

Molecular Formula

C17H23NO4 (C17 H23 NO4)

Compound Name

1-methyl-2-piperidinoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate

IUPAC name

1-(piperidin-1-yl)propan-2-yl 23-dihydro-14-benzodioxine-6-carboxylate

SMILES

CC(CN1CCCCC1)OC(c(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C17H23NO4/c1-13(12-18-7-3-2-4-8-18)22-17(19)14-5-6-15-16(11-14)21-10-9-20-15/h5-6,11,13H,2-4,7-10,12H2,1H3

InChI Key

JDYCICJALHBSHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03043760

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

305.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.148

Distribution Coefficient, logD

1.274

Water Solubility, LogSw

-2.57

Polar Surface Area

40.110

Acid Dissociation Constant (pKa)

28.05

Base Dissociation Constant (pKb)

8.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

4364-0608 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Soluble Diversity Library (15920 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
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 4364-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4364-0608?
Check Price and Availability of 4364-0608, 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 4364-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4364-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4364-0608
  • 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 4364-0608 available by request