6079-1957 Screening compound: 4-{[(2Z)-3-oxo-2,3-dihydro-1-benzofuran-2-ylidene]methyl}phenyl propanoate

6079-1957 Screening compound: 4-{[(2Z)-3-oxo-2,3-dihydro-1-benzofuran-2-ylidene]methyl}phenyl propanoate
6079-1957 Screening compound: 4-{[(2Z)-3-oxo-2,3-dihydro-1-benzofuran-2-ylidene]methyl}phenyl propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6079-1957
4-{[(2Z)-3-oxo-2,3-dihydro-1-benzofuran-2-ylidene]methyl}phenyl 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

6079-1957

Molecular Formula

C18H14O4 (C18 H14 O4)

Compound Name

4-{[(2Z)-3-oxo-2,3-dihydro-1-benzofuran-2-ylidene]methyl}phenyl propanoate

IUPAC name

4-{[(2Z)-3-oxo-23-dihydro-1-benzofuran-2-ylidene]methyl}phenyl propanoate

SMILES

CCC(Oc1ccc(/C=C2\Oc(cccc3)c3C2=O)cc1)=O

InChI

InChI=1S/C18H14O4/c1-2-17(19)21-13-9-7-12(8-10-13)11-16-18(20)14-5-3-4-6-15(14)22-16/h3-11H,2H2,1H3

InChI Key

LVSSRWGTMNYCKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06669818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.31

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

3.676

Distribution Coefficient, logD

3.676

Water Solubility, LogSw

-4.00

Polar Surface Area

41.417

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 6079-1957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6079-1957?
Check Price and Availability of 6079-1957, 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 6079-1957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6079-1957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6079-1957
  • 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 6079-1957 available by request