4228-0006 Screening compound: 4-{[(3E)-5-(4-methylphenyl)-2-oxo-2,3-dihydrofuran-3-ylidene]methyl}phenyl acetate

4228-0006 Screening compound: 4-{[(3E)-5-(4-methylphenyl)-2-oxo-2,3-dihydrofuran-3-ylidene]methyl}phenyl acetate
4228-0006 Screening compound: 4-{[(3E)-5-(4-methylphenyl)-2-oxo-2,3-dihydrofuran-3-ylidene]methyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4228-0006
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

4228-0006

Molecular Formula

C20H16O4 (C20 H16 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(Oc1ccc(/C=C(\C=C(c2ccc(C)cc2)O2)/C2=O)cc1)=O

InChI

InChI=1S/C20H16O4/c1-13-3-7-16(8-4-13)19-12-17(20(22)24-19)11-15-5-9-18(10-6-15)23-14(2)21/h3-12H,1-2H3

InChI Key

DBOAGVLHMOFXAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02052968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.062

Distribution Coefficient, logD

4.062

Water Solubility, LogSw

-4.19

Polar Surface Area

43.491

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

4228-0006 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4228-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4228-0006?
Check Price and Availability of 4228-0006, 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 4228-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4228-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4228-0006
  • 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 4228-0006 available by request