0988-0234 Screening compound: 4-cyano-1-[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]pyridin-1-ium

0988-0234 Screening compound: 4-cyano-1-[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]pyridin-1-ium
0988-0234 Screening compound: 4-cyano-1-[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]pyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0988-0234
4-cyano-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

0988-0234

Molecular Formula

C17H11N2O3 (C17 H11 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1cc[n+](CC(C2=Cc(cccc3)c3OC2=O)=O)cc1

InChI

InChI=1S/C17H11N2O3/c18-10-12-5-7-19(8-6-12)11-15(20)14-9-13-3-1-2-4-16(13)22-17(14)21/h1-9H,11H2/q+1

InChI Key

OHCZDXRNLRPLHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01020969

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

291.29

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

1.780

Distribution Coefficient, logD

1.780

Water Solubility, LogSw

-2.08

Polar Surface Area

54.256

Acid Dissociation Constant (pKa)

19.74

Base Dissociation Constant (pKb)

-9.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

0988-0234 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 0988-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0988-0234?
Check Price and Availability of 0988-0234, 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 0988-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0988-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0988-0234
  • 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 0988-0234 available by request