8005-4463 Screening compound: 4-(furan-2-yl)-2,6-dimethylpyridine-3,5-dicarboxylic acid

8005-4463 Screening compound: 4-(furan-2-yl)-2,6-dimethylpyridine-3,5-dicarboxylic acid
8005-4463 Screening compound: 4-(furan-2-yl)-2,6-dimethylpyridine-3,5-dicarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-4463
4-(furan-2-yl)-2,6-dimethylpyridine-3,5-dicarboxylic 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

8005-4463

Molecular Formula

C13H11NO5 (C13 H11 NO5)

Compound Name

4-(furan-2-yl)-2,6-dimethylpyridine-3,5-dicarboxylic acid

IUPAC name

4-(furan-2-yl)-26-dimethylpyridine-35-dicarboxylic acid

SMILES

Cc1c(C(O)=O)c(-c2ccco2)c(C(O)=O)c(C)n1

InChI

InChI=1S/C13H11NO5/c1-6-9(12(15)16)11(8-4-3-5-19-8)10(13(17)18)7(2)14-6/h3-5H,1-2H3,(H,15,16)(H,17,18)

InChI Key

XZHCNKVDZPHPQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00819748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.23

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.447

Distribution Coefficient, logD

-2.126

Water Solubility, LogSw

-1.44

Polar Surface Area

75.131

Acid Dissociation Constant (pKa)

3.83

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

8005-4463 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8005-4463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-4463?
Check Price and Availability of 8005-4463, 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 8005-4463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-4463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-4463
  • 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 8005-4463 available by request