3998-0018 Screening compound: 6-(3,4-dimethoxyphenyl)-8-methoxy-1,3-dimethyl-4H-cyclohepta[c]furan-4-one

3998-0018 Screening compound: 6-(3,4-dimethoxyphenyl)-8-methoxy-1,3-dimethyl-4H-cyclohepta[c]furan-4-one
3998-0018 Screening compound: 6-(3,4-dimethoxyphenyl)-8-methoxy-1,3-dimethyl-4H-cyclohepta[c]furan-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3998-0018
6-(3,4-dimethoxyphenyl)-8-methoxy-1,3-dimethyl-4H-cyclohepta[c]furan-4-one

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

3998-0018

Molecular Formula

C20H20O5 (C20 H20 O5)

Compound Name

6-(3,4-dimethoxyphenyl)-8-methoxy-1,3-dimethyl-4H-cyclohepta[c]furan-4-one

IUPAC name

6-(34-dimethoxyphenyl)-8-methoxy-13-dimethyl-4H-cyclohepta[c]furan-4-one

SMILES

Cc(oc(C)c1C(OC)=CC(c(cc2)cc(OC)c2OC)=C2)c1C2=O

InChI

InChI=1S/C20H20O5/c1-11-19-15(21)8-14(10-18(24-5)20(19)12(2)25-11)13-6-7-16(22-3)17(9-13)23-4/h6-10H,1-5H3

InChI Key

HBCRLHZCIKXVTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02057945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.080

Distribution Coefficient, logD

3.080

Water Solubility, LogSw

-3.11

Polar Surface Area

43.942

Acid Dissociation Constant (pKa)

31.68

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3998-0018 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic

References: we are preparing a list of scientific research reports with 3998-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3998-0018?
Check Price and Availability of 3998-0018, 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 3998-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3998-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3998-0018
  • 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 3998-0018 available by request