Y041-2544 Screening compound: 3-(2-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-fluorobenzoate

Y041-2544 Screening compound: 3-(2-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-fluorobenzoate
Y041-2544 Screening compound: 3-(2-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2544
3-(2-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-fluorobenzoate

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

Y041-2544

Molecular Formula

C23H15FO5 (C23 H15 FO5)

Compound Name

3-(2-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-fluorobenzoate

IUPAC name

3-(2-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-fluorobenzoate

SMILES

COc(cccc1)c1C1=COc(cc(cc2)OC(c(cccc3)c3F)=O)c2C1=O

InChI

InChI=1S/C23H15FO5/c1-27-20-9-5-3-6-15(20)18-13-28-21-12-14(10-11-17(21)22(18)25)29-23(26)16-7-2-4-8-19(16)24/h2-13H,1H3

InChI Key

CYSLPEPMRLDNKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02963457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.080

Distribution Coefficient, logD

4.080

Water Solubility, LogSw

-4.59

Polar Surface Area

48.868

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

Y041-2544 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y041-2544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2544?
Check Price and Availability of Y041-2544, 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 Y041-2544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2544
  • 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 Y041-2544 available by request