Y040-2296 Screening compound: methyl 2-{6-chloro-7-[2-(4-fluorophenyl)-2-oxoethoxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetate

Y040-2296 Screening compound: methyl 2-{6-chloro-7-[2-(4-fluorophenyl)-2-oxoethoxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetate
Y040-2296 Screening compound: methyl 2-{6-chloro-7-[2-(4-fluorophenyl)-2-oxoethoxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-2296
methyl 2-{6-chloro-7-[2-(4-fluorophenyl)-2-oxoethoxy]-4-methyl-2-oxo-2H-chromen-3-yl}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

Y040-2296

Molecular Formula

C21H16ClFO6 (C21 H16 ClFO6)

Compound Name

methyl 2-{6-chloro-7-[2-(4-fluorophenyl)-2-oxoethoxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetate

IUPAC name

methyl 2-{6-chloro-7-[2-(4-fluorophenyl)-2-oxoethoxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetate

SMILES

CC(c(c(O1)c2)cc(Cl)c2OCC(c(cc2)ccc2F)=O)=C(CC(OC)=O)C1=O

InChI

InChI=1S/C21H16ClFO6/c1-11-14-7-16(22)19(28-10-17(24)12-3-5-13(23)6-4-12)9-18(14)29-21(26)15(11)8-20(25)27-2/h3-7,9H,8,10H2,1-2H3

InChI Key

SJBSZASTGHBMAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03689752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.81

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.002

Distribution Coefficient, logD

4.002

Water Solubility, LogSw

-4.51

Polar Surface Area

62.300

Acid Dissociation Constant (pKa)

21.25

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

Y040-2296 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 Y040-2296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-2296?
Check Price and Availability of Y040-2296, 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 Y040-2296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-2296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-2296
  • 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 Y040-2296 available by request