6557-0119 Screening compound: 6-(4-hydroxy-3-iodo-5-methoxyphenyl)-8-methoxy-1,3-dimethyl-4H-cyclohepta[c]furan-4-one

6557-0119 Screening compound: 6-(4-hydroxy-3-iodo-5-methoxyphenyl)-8-methoxy-1,3-dimethyl-4H-cyclohepta[c]furan-4-one
6557-0119 Screening compound: 6-(4-hydroxy-3-iodo-5-methoxyphenyl)-8-methoxy-1,3-dimethyl-4H-cyclohepta[c]furan-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6557-0119
6-(4-hydroxy-3-iodo-5-methoxyphenyl)-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

6557-0119

Molecular Formula

C19H17IO5 (C19 H17 IO5)

Compound Name

6-(4-hydroxy-3-iodo-5-methoxyphenyl)-8-methoxy-1,3-dimethyl-4H-cyclohepta[c]furan-4-one

IUPAC name

6-(4-hydroxy-3-iodo-5-methoxyphenyl)-8-methoxy-13-dimethyl-4H-cyclohepta[c]furan-4-one

SMILES

Cc(oc(C)c1C(OC)=CC(c(cc2OC)cc(I)c2O)=C2)c1C2=O

InChI

InChI=1S/C19H17IO5/c1-9-17-14(21)6-12(7-15(23-3)18(17)10(2)25-9)11-5-13(20)19(22)16(8-11)24-4/h5-8,22H,1-4H3

InChI Key

NXAGFAKZJJQHKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04143772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.846

Distribution Coefficient, logD

3.721

Water Solubility, LogSw

-3.99

Polar Surface Area

51.790

Acid Dissociation Constant (pKa)

7.88

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

6557-0119 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)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6557-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6557-0119?
Check Price and Availability of 6557-0119, 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 6557-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6557-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6557-0119
  • 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 6557-0119 available by request