5682-0169 Screening compound: 9-(benzyloxy)-4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-one

5682-0169 Screening compound: 9-(benzyloxy)-4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-one
5682-0169 Screening compound: 9-(benzyloxy)-4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5682-0169
9-(benzyloxy)-4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-one

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

5682-0169

Molecular Formula

C28H32N2O4 (C28 H32 N2 O4)

Compound Name

9-(benzyloxy)-4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-one

IUPAC name

9-(benzyloxy)-4-[2-(35-dimethylpiperidin-1-yl)acetyl]-1H2H3H4H5H-chromeno[34-b]pyridin-5-one

SMILES

CC1CN(CC(N(CCC2)C3=C2c(cc(cc2)OCc4ccccc4)c2OC3=O)=O)CC(C)C1

InChI

InChI=1S/C28H32N2O4/c1-19-13-20(2)16-29(15-19)17-26(31)30-12-6-9-23-24-14-22(33-18-21-7-4-3-5-8-21)10-11-25(24)34-28(32)27(23)30/h3-5,7-8,10-11,14,19-20H,6,9,12-13,15-18H2,1-2H3

InChI Key

CEGAPRIZWVWVHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.612

Distribution Coefficient, logD

4.540

Water Solubility, LogSw

-4.59

Polar Surface Area

47.278

Acid Dissociation Constant (pKa)

24.29

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.90

5682-0169 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 5682-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5682-0169?
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What is the minimum amount of 5682-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5682-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5682-0169
  • 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 5682-0169 available by request