5682-0115 Screening compound: ethyl 1-{2-[9-(benzyloxy)-5-oxo-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-4-yl]-2-oxoethyl}piperidine-4-carboxylate

5682-0115 Screening compound: ethyl 1-{2-[9-(benzyloxy)-5-oxo-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-4-yl]-2-oxoethyl}piperidine-4-carboxylate
5682-0115 Screening compound: ethyl 1-{2-[9-(benzyloxy)-5-oxo-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-4-yl]-2-oxoethyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5682-0115
ethyl 1-{2-[9-(benzyloxy)-5-oxo-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-4-yl]-2-oxoethyl}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

5682-0115

Molecular Formula

C29H32N2O6 (C29 H32 N2 O6)

Compound Name

ethyl 1-{2-[9-(benzyloxy)-5-oxo-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-4-yl]-2-oxoethyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{2-[9-(benzyloxy)-5-oxo-1H2H3H4H5H-chromeno[34-b]pyridin-4-yl]-2-oxoethyl}piperidine-4-carboxylate

SMILES

CCOC(C1CCN(CC(N(CCC2)C3=C2c(cc(cc2)OCc4ccccc4)c2OC3=O)=O)CC1)=O

InChI

InChI=1S/C29H32N2O6/c1-2-35-28(33)21-12-15-30(16-13-21)18-26(32)31-14-6-9-23-24-17-22(36-19-20-7-4-3-5-8-20)10-11-25(24)37-29(34)27(23)31/h3-5,7-8,10-11,17,21H,2,6,9,12-16,18-19H2,1H3

InChI Key

IHTUQIPWEUKWSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.712

Distribution Coefficient, logD

3.630

Water Solubility, LogSw

-3.98

Polar Surface Area

68.165

Acid Dissociation Constant (pKa)

23.55

Base Dissociation Constant (pKb)

6.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

5682-0115 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 5682-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5682-0115?
Check Price and Availability of 5682-0115, 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 5682-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5682-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5682-0115
  • 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 5682-0115 available by request