3998-0008 Screening compound: 6-(3,4-dihydroxyphenyl)-8-ethoxy-1,3-dimethyl-4H-cyclohepta[c]furan-4-one

3998-0008 Screening compound: 6-(3,4-dihydroxyphenyl)-8-ethoxy-1,3-dimethyl-4H-cyclohepta[c]furan-4-one
3998-0008 Screening compound: 6-(3,4-dihydroxyphenyl)-8-ethoxy-1,3-dimethyl-4H-cyclohepta[c]furan-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3998-0008
6-(3,4-dihydroxyphenyl)-8-ethoxy-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

3998-0008

Molecular Formula

C19H18O5 (C19 H18 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)oc(C)c11)=CC(c(cc2)cc(O)c2O)=CC1=O

InChI

InChI=1S/C19H18O5/c1-4-23-17-9-13(12-5-6-14(20)15(21)7-12)8-16(22)18-10(2)24-11(3)19(17)18/h5-9,20-21H,4H2,1-3H3

InChI Key

XNTCTTULQBTOJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01542358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.311

Distribution Coefficient, logD

3.302

Water Solubility, LogSw

-2.97

Polar Surface Area

61.357

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

3998-0008 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3998-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3998-0008?
Check Price and Availability of 3998-0008, 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 3998-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3998-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3998-0008
  • 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 3998-0008 available by request