4491-0665 Screening compound: 2-ethyl-1-[(6-ethyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]piperidin-1-ium

4491-0665 Screening compound: 2-ethyl-1-[(6-ethyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]piperidin-1-ium
4491-0665 Screening compound: 2-ethyl-1-[(6-ethyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]piperidin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-0665
2-ethyl-1-[(6-ethyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]piperidin-1-ium

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

4491-0665

Molecular Formula

C20H28NO3 (C20 H28 NO3)

Compound Name

2-ethyl-1-[(6-ethyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]piperidin-1-ium

IUPAC name

2-ethyl-1-[(6-ethyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]piperidin-1-ium

SMILES

CCC1[NH+](Cc(c(O2)c(cc3CC)C(C)=CC2=O)c3O)CCCC1

InChI

InChI=1S/C20H27NO3/c1-4-14-11-16-13(3)10-18(22)24-20(16)17(19(14)23)12-21-9-7-6-8-15(21)5-2/h10-11,15,23H,4-9,12H2,1-3H3/p+1

InChI Key

VNJQRLQPSJKPFE-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD03447595

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

330.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.279

Distribution Coefficient, logD

4.278

Water Solubility, LogSw

-4.12

Polar Surface Area

39.354

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.00

4491-0665 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4491-0665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-0665?
Check Price and Availability of 4491-0665, 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 4491-0665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-0665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-0665
  • 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 4491-0665 available by request