Y040-3406 Screening compound: benzyl 2-{[3-(4-fluorophenyl)-2-oxo-2H-chromen-7-yl]oxy}acetate

Y040-3406 Screening compound: benzyl 2-{[3-(4-fluorophenyl)-2-oxo-2H-chromen-7-yl]oxy}acetate
Y040-3406 Screening compound: benzyl 2-{[3-(4-fluorophenyl)-2-oxo-2H-chromen-7-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3406
benzyl 2-{[3-(4-fluorophenyl)-2-oxo-2H-chromen-7-yl]oxy}acetate

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

Y040-3406

Molecular Formula

C24H17FO5 (C24 H17 FO5)

Compound Name

benzyl 2-{[3-(4-fluorophenyl)-2-oxo-2H-chromen-7-yl]oxy}acetate

IUPAC name

benzyl 2-{[3-(4-fluorophenyl)-2-oxo-2H-chromen-7-yl]oxy}acetate

SMILES

O=C(COc(cc1)cc(O2)c1C=C(c(cc1)ccc1F)C2=O)OCc1ccccc1

InChI

InChI=1S/C24H17FO5/c25-19-9-6-17(7-10-19)21-12-18-8-11-20(13-22(18)30-24(21)27)28-15-23(26)29-14-16-4-2-1-3-5-16/h1-13H,14-15H2

InChI Key

FXVQLFBYFODYTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06001879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.446

Distribution Coefficient, logD

4.446

Water Solubility, LogSw

-4.81

Polar Surface Area

48.650

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

Y040-3406 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y040-3406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3406?
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What is the minimum amount of Y040-3406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3406
  • 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 Y040-3406 available by request