3228-0074 Screening compound: 1-[5-(benzyloxy)-2-methyl-1-benzofuran-3-yl]-1-ethanone

3228-0074 Screening compound: 1-[5-(benzyloxy)-2-methyl-1-benzofuran-3-yl]-1-ethanone
3228-0074 Screening compound: 1-[5-(benzyloxy)-2-methyl-1-benzofuran-3-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 3228-0074
1-[5-(benzyloxy)-2-methyl-1-benzofuran-3-yl]-1-ethanone

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

3228-0074

Molecular Formula

C18H16O3 (C18 H16 O3)

Compound Name

1-[5-(benzyloxy)-2-methyl-1-benzofuran-3-yl]-1-ethanone

IUPAC name

1-[5-(benzyloxy)-2-methyl-1-benzofuran-3-yl]ethan-1-one

SMILES

CC(c1c(C)oc(cc2)c1cc2OCc1ccccc1)=O

InChI

InChI=1S/C18H16O3/c1-12(19)18-13(2)21-17-9-8-15(10-16(17)18)20-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3

InChI Key

FCROKKATVXFIHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01454237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.986

Distribution Coefficient, logD

3.986

Water Solubility, LogSw

-4.43

Polar Surface Area

29.240

Acid Dissociation Constant (pKa)

21.32

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

3228-0074 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

GABA Library (7115 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Eye
  • Cancer
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3228-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3228-0074?
Check Price and Availability of 3228-0074, 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 3228-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3228-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3228-0074
  • 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 3228-0074 available by request