3998-0014 Screening compound: 8-ethoxy-6-(5-iodofuran-2-yl)-1,3-dimethyl-4H-cyclohepta[c]furan-4-one

3998-0014 Screening compound: 8-ethoxy-6-(5-iodofuran-2-yl)-1,3-dimethyl-4H-cyclohepta[c]furan-4-one
3998-0014 Screening compound: 8-ethoxy-6-(5-iodofuran-2-yl)-1,3-dimethyl-4H-cyclohepta[c]furan-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3998-0014
8-ethoxy-6-(5-iodofuran-2-yl)-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

3998-0014

Molecular Formula

C17H15IO4 (C17 H15 IO4)

Compound Name

8-ethoxy-6-(5-iodofuran-2-yl)-1,3-dimethyl-4H-cyclohepta[c]furan-4-one

IUPAC name

8-ethoxy-6-(5-iodofuran-2-yl)-13-dimethyl-4H-cyclohepta[c]furan-4-one

SMILES

CCOC(c1c(C)oc(C)c11)=CC(c(o2)ccc2I)=CC1=O

InChI

InChI=1S/C17H15IO4/c1-4-20-14-8-11(13-5-6-15(18)22-13)7-12(19)16-9(2)21-10(3)17(14)16/h5-8H,4H2,1-3H3

InChI Key

UFCRDMVNWNEFJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02057472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.21

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.446

Distribution Coefficient, logD

4.446

Water Solubility, LogSw

-4.51

Polar Surface Area

37.121

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

3998-0014 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3998-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3998-0014?
Check Price and Availability of 3998-0014, 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 3998-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3998-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3998-0014
  • 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 3998-0014 available by request