C711-0425 Screening compound: methyl (2Z)-3-oxo-2-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}-2,3-dihydro-1-benzofuran-5-carboxylate

C711-0425 Screening compound: methyl (2Z)-3-oxo-2-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}-2,3-dihydro-1-benzofuran-5-carboxylate
C711-0425 Screening compound: methyl (2Z)-3-oxo-2-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}-2,3-dihydro-1-benzofuran-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C711-0425
methyl (2Z)-3-oxo-2-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}-2,3-dihydro-1-benzofuran-5-carboxylate

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

C711-0425

Molecular Formula

C20H16O5 (C20 H16 O5)

Compound Name

methyl (2Z)-3-oxo-2-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}-2,3-dihydro-1-benzofuran-5-carboxylate

IUPAC name

methyl (2Z)-3-oxo-2-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}-23-dihydro-1-benzofuran-5-carboxylate

SMILES

COC(c(cc1)cc(C2=O)c1O/C2=C\c(cccc1)c1OCC=C)=O

InChI

InChI=1S/C20H16O5/c1-3-10-24-16-7-5-4-6-13(16)12-18-19(21)15-11-14(20(22)23-2)8-9-17(15)25-18/h3-9,11-12H,1,10H2,2H3

InChI Key

PJIYPZANBUOHKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06645625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.710

Distribution Coefficient, logD

4.710

Water Solubility, LogSw

-4.63

Polar Surface Area

50.041

Acid Dissociation Constant (pKa)

33.22

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C711-0425 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C711-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C711-0425?
Check Price and Availability of C711-0425, 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 C711-0425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C711-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C711-0425
  • 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 C711-0425 available by request