6510-0001 Screening compound: ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate

6510-0001 Screening compound: ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate
6510-0001 Screening compound: ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6510-0001
ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate

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

6510-0001

Molecular Formula

C16H18O5 (C16 H18 O5)

Compound Name

ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate

IUPAC name

ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate

SMILES

CCOC(CCC(c1c(C)oc(cc2)c1cc2OC)=O)=O

InChI

InChI=1S/C16H18O5/c1-4-20-15(18)8-6-13(17)16-10(2)21-14-7-5-11(19-3)9-12(14)16/h5,7,9H,4,6,8H2,1-3H3

InChI Key

YFVNTODVGQDNFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01044392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.148

Distribution Coefficient, logD

3.148

Water Solubility, LogSw

-3.34

Polar Surface Area

49.135

Acid Dissociation Constant (pKa)

20.71

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

6510-0001 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 6510-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6510-0001?
Check Price and Availability of 6510-0001, 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 6510-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6510-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6510-0001
  • 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 6510-0001 available by request