5546-0103 Screening compound: ethyl 1-(2H-1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate

5546-0103 Screening compound: ethyl 1-(2H-1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate
5546-0103 Screening compound: ethyl 1-(2H-1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5546-0103
ethyl 1-(2H-1,3-benzodioxole-5-carbonyl)piperidine-4-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

5546-0103

Molecular Formula

C16H19NO5 (C16 H19 NO5)

Compound Name

ethyl 1-(2H-1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate

IUPAC name

ethyl 1-(2H-13-benzodioxole-5-carbonyl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(c(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C16H19NO5/c1-2-20-16(19)11-5-7-17(8-6-11)15(18)12-3-4-13-14(9-12)22-10-21-13/h3-4,9,11H,2,5-8,10H2,1H3

InChI Key

KONXUFXACZVAGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01259905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.853

Distribution Coefficient, logD

1.853

Water Solubility, LogSw

-2.24

Polar Surface Area

54.756

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

5546-0103 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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
  • Pool
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 5546-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5546-0103?
Check Price and Availability of 5546-0103, 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 5546-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5546-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5546-0103
  • 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 5546-0103 available by request