4579-0189 Screening compound: 7-[2-(4-methoxyphenyl)-2-oxoethoxy]-4-(trifluoromethyl)-2H-chromen-2-one

4579-0189 Screening compound: 7-[2-(4-methoxyphenyl)-2-oxoethoxy]-4-(trifluoromethyl)-2H-chromen-2-one
4579-0189 Screening compound: 7-[2-(4-methoxyphenyl)-2-oxoethoxy]-4-(trifluoromethyl)-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4579-0189
7-[2-(4-methoxyphenyl)-2-oxoethoxy]-4-(trifluoromethyl)-2H-chromen-2-one

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

4579-0189

Molecular Formula

C19H13F3O5 (C19 H13 F3 O5)

Compound Name

7-[2-(4-methoxyphenyl)-2-oxoethoxy]-4-(trifluoromethyl)-2H-chromen-2-one

IUPAC name

7-[2-(4-methoxyphenyl)-2-oxoethoxy]-4-(trifluoromethyl)-2H-chromen-2-one

SMILES

COc(cc1)ccc1C(COc(cc1)cc(O2)c1C(C(F)(F)F)=CC2=O)=O

InChI

InChI=1S/C19H13F3O5/c1-25-12-4-2-11(3-5-12)16(23)10-26-13-6-7-14-15(19(20,21)22)9-18(24)27-17(14)8-13/h2-9H,10H2,1H3

InChI Key

PQDPRJPUJJWJEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02955609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.199

Distribution Coefficient, logD

3.199

Water Solubility, LogSw

-3.59

Polar Surface Area

48.664

Acid Dissociation Constant (pKa)

22.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

4579-0189 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4579-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4579-0189?
Check Price and Availability of 4579-0189, 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 4579-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4579-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4579-0189
  • 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 4579-0189 available by request