Y040-4244 Screening compound: methyl 2-{6-chloro-7-[(2,6-difluorophenyl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetate

Y040-4244 Screening compound: methyl 2-{6-chloro-7-[(2,6-difluorophenyl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetate
Y040-4244 Screening compound: methyl 2-{6-chloro-7-[(2,6-difluorophenyl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4244
methyl 2-{6-chloro-7-[(2,6-difluorophenyl)methoxy]-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

Y040-4244

Molecular Formula

C20H15ClF2O5 (C20 H15 ClF2 O5)

Compound Name

methyl 2-{6-chloro-7-[(2,6-difluorophenyl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetate

IUPAC name

methyl 2-{6-chloro-7-[(26-difluorophenyl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetate

SMILES

CC(c(c(O1)c2)cc(Cl)c2OCc(c(F)ccc2)c2F)=C(CC(OC)=O)C1=O

InChI

InChI=1S/C20H15ClF2O5/c1-10-11-6-14(21)18(27-9-13-15(22)4-3-5-16(13)23)8-17(11)28-20(25)12(10)7-19(24)26-2/h3-6,8H,7,9H2,1-2H3

InChI Key

KFXSATLABOTJJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05990096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.79

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

4.623

Distribution Coefficient, logD

4.623

Water Solubility, LogSw

-4.91

Polar Surface Area

49.053

Acid Dissociation Constant (pKa)

21.25

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with Y040-4244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4244?
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What is the minimum amount of Y040-4244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4244
  • 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 Y040-4244 available by request