3570-0584 Screening compound: ethyl 5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate

3570-0584 Screening compound: ethyl 5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate
3570-0584 Screening compound: ethyl 5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3570-0584
ethyl 5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-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

3570-0584

Molecular Formula

C18H22O5 (C18 H22 O5)

Compound Name

ethyl 5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate

IUPAC name

ethyl 5-(33-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate

SMILES

CCOC(c1c(C)oc(cc2)c1cc2OCC(C(C)(C)C)=O)=O

InChI

InChI=1S/C18H22O5/c1-6-21-17(20)16-11(2)23-14-8-7-12(9-13(14)16)22-10-15(19)18(3,4)5/h7-9H,6,10H2,1-5H3

InChI Key

QDOJJJLRCCJERK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02167197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.37

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

3.971

Distribution Coefficient, logD

3.971

Water Solubility, LogSw

-4.27

Polar Surface Area

49.686

Acid Dissociation Constant (pKa)

22.52

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

3570-0584 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 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 3570-0584 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3570-0584?
Check Price and Availability of 3570-0584, 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 3570-0584 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3570-0584
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3570-0584
  • 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 3570-0584 available by request