4989-0006 Screening compound: 3-[(Z)-1-(1,3-BENZODIOXOL-5-YL)METHYLIDENE]-5-(4-METHYLPHENYL)-2-FURANONE

4989-0006 Screening compound: 3-[(Z)-1-(1,3-BENZODIOXOL-5-YL)METHYLIDENE]-5-(4-METHYLPHENYL)-2-FURANONE
4989-0006 Screening compound: 3-[(Z)-1-(1,3-BENZODIOXOL-5-YL)METHYLIDENE]-5-(4-METHYLPHENYL)-2-FURANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4989-0006
3-[(Z)-1-(1,3-BENZODIOXOL-5-YL)METHYLIDENE]-5-(4-METHYLPHENYL)-2-FURANONE

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

4989-0006

Molecular Formula

C19H14O4 (C19 H14 O4)

Compound Name

3-[(Z)-1-(1,3-BENZODIOXOL-5-YL)METHYLIDENE]-5-(4-METHYLPHENYL)-2-FURANONE

IUPAC name

n/a

SMILES

Cc(cc1)ccc1C(OC1=O)=C/C1=C/c(cc1)cc2c1OCO2

InChI

InChI=1S/C19H14O4/c1-12-2-5-14(6-3-12)17-10-15(19(20)23-17)8-13-4-7-16-18(9-13)22-11-21-16/h2-10H,11H2,1H3

InChI Key

QPOLRXUIFOOONE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01189966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.479

Distribution Coefficient, logD

4.479

Water Solubility, LogSw

-4.45

Polar Surface Area

39.855

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 4989-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4989-0006?
Check Price and Availability of 4989-0006, 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 4989-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4989-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4989-0006
  • 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 4989-0006 available by request