Y040-0048 Screening compound: 7-(2-{[1,1'-biphenyl]-4-yl}-2-oxoethoxy)-4-(trifluoromethyl)-2H-chromen-2-one

Y040-0048 Screening compound: 7-(2-{[1,1'-biphenyl]-4-yl}-2-oxoethoxy)-4-(trifluoromethyl)-2H-chromen-2-one
Y040-0048 Screening compound: 7-(2-{[1,1'-biphenyl]-4-yl}-2-oxoethoxy)-4-(trifluoromethyl)-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-0048
7-(2-{[1,1'-biphenyl]-4-yl}-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

Y040-0048

Molecular Formula

C24H15F3O4 (C24 H15 F3 O4)

Compound Name

7-(2-{[1,1'-biphenyl]-4-yl}-2-oxoethoxy)-4-(trifluoromethyl)-2H-chromen-2-one

IUPAC name

7-(2-{[11'-biphenyl]-4-yl}-2-oxoethoxy)-4-(trifluoromethyl)-2H-chromen-2-one

SMILES

O=C(COc(cc1)cc(O2)c1C(C(F)(F)F)=CC2=O)c(cc1)ccc1-c1ccccc1

InChI

InChI=1S/C24H15F3O4/c25-24(26,27)20-13-23(29)31-22-12-18(10-11-19(20)22)30-14-21(28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,14H2

InChI Key

IVVAQIYVGXGYLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03712995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.936

Distribution Coefficient, logD

4.936

Water Solubility, LogSw

-5.07

Polar Surface Area

40.849

Acid Dissociation Constant (pKa)

22.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

Y040-0048 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y040-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-0048?
Check Price and Availability of Y040-0048, 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 Y040-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-0048
  • 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 Y040-0048 available by request