6228-1789 Screening compound: 5-[(3-chlorophenoxy)methyl]furan-2-carboxylic acid

6228-1789 Screening compound: 5-[(3-chlorophenoxy)methyl]furan-2-carboxylic acid
6228-1789 Screening compound: 5-[(3-chlorophenoxy)methyl]furan-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-1789
5-[(3-chlorophenoxy)methyl]furan-2-carboxylic acid

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

6228-1789

Molecular Formula

C12H9ClO4 (C12 H9 ClO4)

Compound Name

5-[(3-chlorophenoxy)methyl]furan-2-carboxylic acid

IUPAC name

5-[(3-chlorophenoxy)methyl]furan-2-carboxylic acid

SMILES

OC(c1ccc(COc2cccc(Cl)c2)o1)=O

InChI

InChI=1S/C12H9ClO4/c13-8-2-1-3-9(6-8)16-7-10-4-5-11(17-10)12(14)15/h1-6H,7H2,(H,14,15)

InChI Key

CXZKYGFMZHJUGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02090862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.059

Distribution Coefficient, logD

-0.925

Water Solubility, LogSw

-2.86

Polar Surface Area

43.715

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

6228-1789 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Aging Library (44940 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • 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 6228-1789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-1789?
Check Price and Availability of 6228-1789, 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 6228-1789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-1789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-1789
  • 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 6228-1789 available by request