5744-0039 Screening compound: 1-[2-(6-methoxy-2-oxo-2H-chromen-3-yl)-2-oxoethyl]-4-methylpyridin-1-ium

5744-0039 Screening compound: 1-[2-(6-methoxy-2-oxo-2H-chromen-3-yl)-2-oxoethyl]-4-methylpyridin-1-ium
5744-0039 Screening compound: 1-[2-(6-methoxy-2-oxo-2H-chromen-3-yl)-2-oxoethyl]-4-methylpyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 5744-0039
1-[2-(6-methoxy-2-oxo-2H-chromen-3-yl)-2-oxoethyl]-4-methylpyridin-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

5744-0039

Molecular Formula

C18H16NO4 (C18 H16 NO4)

Compound Name

1-[2-(6-methoxy-2-oxo-2H-chromen-3-yl)-2-oxoethyl]-4-methylpyridin-1-ium

IUPAC name

1-[2-(6-methoxy-2-oxo-2H-chromen-3-yl)-2-oxoethyl]-4-methylpyridin-1-ium

SMILES

Cc1cc[n+](CC(C2=Cc(cc(cc3)OC)c3OC2=O)=O)cc1

InChI

InChI=1S/C18H16NO4/c1-12-5-7-19(8-6-12)11-16(20)15-10-13-9-14(22-2)3-4-17(13)23-18(15)21/h3-10H,11H2,1-2H3/q+1

InChI Key

KXENLJMTDYRLGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02173169

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

310.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.095

Distribution Coefficient, logD

2.095

Water Solubility, LogSw

-2.89

Polar Surface Area

44.743

Acid Dissociation Constant (pKa)

19.74

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 5744-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5744-0039?
Check Price and Availability of 5744-0039, 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 5744-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5744-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5744-0039
  • 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 5744-0039 available by request