2081-0418 Screening compound: ethyl 4-(5-formylfuran-2-yl)benzoate

2081-0418 Screening compound: ethyl 4-(5-formylfuran-2-yl)benzoate
2081-0418 Screening compound: ethyl 4-(5-formylfuran-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2081-0418
ethyl 4-(5-formylfuran-2-yl)benzoate

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

2081-0418

Molecular Formula

C14H12O4 (C14 H12 O4)

Compound Name

ethyl 4-(5-formylfuran-2-yl)benzoate

IUPAC name

ethyl 4-(5-formylfuran-2-yl)benzoate

SMILES

CCOC(c(cc1)ccc1-c1ccc(C=O)o1)=O

InChI

InChI=1S/C14H12O4/c1-2-17-14(16)11-5-3-10(4-6-11)13-8-7-12(9-15)18-13/h3-9H,2H2,1H3

InChI Key

UWLKFGFYBKJASW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00778531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.294

Distribution Coefficient, logD

3.294

Water Solubility, LogSw

-3.07

Polar Surface Area

42.721

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

2081-0418 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 2081-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2081-0418?
Check Price and Availability of 2081-0418, 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 2081-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2081-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2081-0418
  • 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 2081-0418 available by request