K219-0698 Screening compound: 6-nitro-2-oxo-N-[3-(trifluoromethyl)phenyl]-2H-chromene-3-carboxamide

K219-0698 Screening compound: 6-nitro-2-oxo-N-[3-(trifluoromethyl)phenyl]-2H-chromene-3-carboxamide
K219-0698 Screening compound: 6-nitro-2-oxo-N-[3-(trifluoromethyl)phenyl]-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K219-0698
6-nitro-2-oxo-N-[3-(trifluoromethyl)phenyl]-2H-chromene-3-carboxamide

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

K219-0698

Molecular Formula

C17H9F3N2O5 (C17 H9 F3 N2 O5)

Compound Name

6-nitro-2-oxo-N-[3-(trifluoromethyl)phenyl]-2H-chromene-3-carboxamide

IUPAC name

6-nitro-2-oxo-N-[3-(trifluoromethyl)phenyl]-2H-chromene-3-carboxamide

SMILES

[O-][N+](c(cc1)cc(C=C2C(Nc3cccc(C(F)(F)F)c3)=O)c1OC2=O)=O

InChI

InChI=1S/C17H9F3N2O5/c18-17(19,20)10-2-1-3-11(8-10)21-15(23)13-7-9-6-12(22(25)26)4-5-14(9)27-16(13)24/h1-8H,(H,21,23)

InChI Key

POVJWOJAUQFYHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.26

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.886

Distribution Coefficient, logD

3.631

Water Solubility, LogSw

-4.31

Polar Surface Area

77.633

Acid Dissociation Constant (pKa)

7.50

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

K219-0698 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K219-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K219-0698?
Check Price and Availability of K219-0698, 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 K219-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K219-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K219-0698
  • 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 K219-0698 available by request