8014-3155 Screening compound: 5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione

8014-3155 Screening compound: 5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione
8014-3155 Screening compound: 5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-3155
5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione

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

8014-3155

Molecular Formula

C18H13IO6 (C18 H13 IO6)

Compound Name

5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione

IUPAC name

5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-2-phenyl-13-dioxane-46-dione

SMILES

COc1cc(C=C(C(OC(c2ccccc2)O2)=O)C2=O)cc(I)c1O

InChI

InChI=1S/C18H13IO6/c1-23-14-9-10(8-13(19)15(14)20)7-12-16(21)24-18(25-17(12)22)11-5-3-2-4-6-11/h2-9,18,20H,1H3

InChI Key

ZURBOUZTAZWOLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03078808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.2

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.755

Distribution Coefficient, logD

3.675

Water Solubility, LogSw

-3.91

Polar Surface Area

65.592

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8014-3155 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8014-3155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-3155?
Check Price and Availability of 8014-3155, 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 8014-3155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-3155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-3155
  • 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 8014-3155 available by request