0685-0240 Screening compound: 1-[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]pyridin-1-ium

0685-0240 Screening compound: 1-[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]pyridin-1-ium
0685-0240 Screening compound: 1-[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]pyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0685-0240
1-[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]pyridin-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

0685-0240

Molecular Formula

C16H12NO3 (C16 H12 NO3)

Compound Name

1-[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]pyridin-1-ium

IUPAC name

1-[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]pyridin-1-ium

SMILES

O=C(C[n+]1ccccc1)C1=Cc(cccc2)c2OC1=O

InChI

InChI=1S/C16H12NO3/c18-14(11-17-8-4-1-5-9-17)13-10-12-6-2-3-7-15(12)20-16(13)19/h1-10H,11H2/q+1

InChI Key

FIRNZAYVDYLWKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00990836

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

266.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.704

Distribution Coefficient, logD

1.704

Water Solubility, LogSw

-2.00

Polar Surface Area

37.200

Acid Dissociation Constant (pKa)

19.74

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

0685-0240 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0685-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0685-0240?
Check Price and Availability of 0685-0240, 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 0685-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0685-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0685-0240
  • 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 0685-0240 available by request