4228-0002 Screening compound: 2-methoxy-4-{[(3E)-5-(4-methylphenyl)-2-oxo-2,3-dihydrofuran-3-ylidene]methyl}phenyl acetate

4228-0002 Screening compound: 2-methoxy-4-{[(3E)-5-(4-methylphenyl)-2-oxo-2,3-dihydrofuran-3-ylidene]methyl}phenyl acetate
4228-0002 Screening compound: 2-methoxy-4-{[(3E)-5-(4-methylphenyl)-2-oxo-2,3-dihydrofuran-3-ylidene]methyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4228-0002
2-methoxy-4-{[(3E)-5-(4-methylphenyl)-2-oxo-2,3-dihydrofuran-3-ylidene]methyl}phenyl 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

4228-0002

Molecular Formula

C21H18O5 (C21 H18 O5)

Compound Name

2-methoxy-4-{[(3E)-5-(4-methylphenyl)-2-oxo-2,3-dihydrofuran-3-ylidene]methyl}phenyl acetate

IUPAC name

2-methoxy-4-{[(3E)-5-(4-methylphenyl)-2-oxo-23-dihydrofuran-3-ylidene]methyl}phenyl acetate

SMILES

CC(Oc(ccc(/C=C(\C=C(c1ccc(C)cc1)O1)/C1=O)c1)c1OC)=O

InChI

InChI=1S/C21H18O5/c1-13-4-7-16(8-5-13)19-12-17(21(23)26-19)10-15-6-9-18(25-14(2)22)20(11-15)24-3/h4-12H,1-3H3

InChI Key

RVIHQWKCUKLNNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02107584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.37

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

4.094

Distribution Coefficient, logD

4.094

Water Solubility, LogSw

-4.44

Polar Surface Area

51.208

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 4228-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4228-0002?
Check Price and Availability of 4228-0002, 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 4228-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4228-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4228-0002
  • 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 4228-0002 available by request