Y040-0046 Screening compound: 7-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-(trifluoromethyl)-2H-chromen-2-one

Y040-0046 Screening compound: 7-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-(trifluoromethyl)-2H-chromen-2-one
Y040-0046 Screening compound: 7-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-(trifluoromethyl)-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-0046
7-[2-(3-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

Y040-0046

Molecular Formula

C19H13F3O5 (C19 H13 F3 O5)

Compound Name

7-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-(trifluoromethyl)-2H-chromen-2-one

IUPAC name

7-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-(trifluoromethyl)-2H-chromen-2-one

SMILES

COc1cccc(C(COc(cc2)cc(O3)c2C(C(F)(F)F)=CC3=O)=O)c1

InChI

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

InChI Key

GNCPDIUPQVQDJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03713190

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

3.514

Distribution Coefficient, logD

3.514

Water Solubility, LogSw

-3.89

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

Y040-0046 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-0046?
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What is the minimum amount of Y040-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-0046
  • 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 Y040-0046 available by request