Y040-2272 Screening compound: ethyl 3-{6-chloro-4-methyl-7-[(3-methylphenyl)methoxy]-2-oxo-2H-chromen-3-yl}propanoate

Y040-2272 Screening compound: ethyl 3-{6-chloro-4-methyl-7-[(3-methylphenyl)methoxy]-2-oxo-2H-chromen-3-yl}propanoate
Y040-2272 Screening compound: ethyl 3-{6-chloro-4-methyl-7-[(3-methylphenyl)methoxy]-2-oxo-2H-chromen-3-yl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-2272
ethyl 3-{6-chloro-4-methyl-7-[(3-methylphenyl)methoxy]-2-oxo-2H-chromen-3-yl}propanoate

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

Y040-2272

Molecular Formula

C23H23ClO5 (C23 H23 ClO5)

Compound Name

ethyl 3-{6-chloro-4-methyl-7-[(3-methylphenyl)methoxy]-2-oxo-2H-chromen-3-yl}propanoate

IUPAC name

ethyl 3-{6-chloro-4-methyl-7-[(3-methylphenyl)methoxy]-2-oxo-2H-chromen-3-yl}propanoate

SMILES

CCOC(CCC(C(Oc1c2)=O)=C(C)c1cc(Cl)c2OCc1cc(C)ccc1)=O

InChI

InChI=1S/C23H23ClO5/c1-4-27-22(25)9-8-17-15(3)18-11-19(24)21(12-20(18)29-23(17)26)28-13-16-7-5-6-14(2)10-16/h5-7,10-12H,4,8-9,13H2,1-3H3

InChI Key

XMHOIXFJTGZSCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04013141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.144

Distribution Coefficient, logD

6.144

Water Solubility, LogSw

-6.13

Polar Surface Area

48.633

Acid Dissociation Constant (pKa)

23.48

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with Y040-2272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-2272?
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What is the minimum amount of Y040-2272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-2272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-2272
  • 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 Y040-2272 available by request