K780-0699 Screening compound: 5-[(4-methoxybenzenesulfonyl)methyl]furan-2-carboxylic acid

K780-0699 Screening compound: 5-[(4-methoxybenzenesulfonyl)methyl]furan-2-carboxylic acid
K780-0699 Screening compound: 5-[(4-methoxybenzenesulfonyl)methyl]furan-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K780-0699
5-[(4-methoxybenzenesulfonyl)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

K780-0699

Molecular Formula

C13H12O6S (C13 H12 O6 S)

Compound Name

5-[(4-methoxybenzenesulfonyl)methyl]furan-2-carboxylic acid

IUPAC name

5-[(4-methoxybenzenesulfonyl)methyl]furan-2-carboxylic acid

SMILES

COc(cc1)ccc1S(Cc1ccc(C(O)=O)o1)(=O)=O

InChI

InChI=1S/C13H12O6S/c1-18-9-2-5-11(6-3-9)20(16,17)8-10-4-7-12(19-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)

InChI Key

VLQOGKJKTDLBDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10694039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.537

Distribution Coefficient, logD

-2.447

Water Solubility, LogSw

-2.08

Polar Surface Area

72.796

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

K780-0699 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Anti-Aging Library (44940 compounds)

Dark Chemical Matter Library (18430 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Nuclear receptors
  • Phosphatases

References: we are preparing a list of scientific research reports with K780-0699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K780-0699?
Check Price and Availability of K780-0699, 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 K780-0699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K780-0699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K780-0699
  • 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 K780-0699 available by request