0074-0031 Screening compound: 2,6-diethyl pyridine-2,6-dicarboxylate

0074-0031 Screening compound: 2,6-diethyl pyridine-2,6-dicarboxylate
0074-0031 Screening compound: 2,6-diethyl pyridine-2,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0074-0031
2,6-diethyl pyridine-2,6-dicarboxylate

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

0074-0031

Molecular Formula

C11H13NO4 (C11 H13 NO4)

Compound Name

2,6-diethyl pyridine-2,6-dicarboxylate

IUPAC name

26-diethyl pyridine-26-dicarboxylate

SMILES

CCOC(c1cccc(C(OCC)=O)n1)=O

InChI

InChI=1S/C11H13NO4/c1-3-15-10(13)8-6-5-7-9(12-8)11(14)16-4-2/h5-7H,3-4H2,1-2H3

InChI Key

KTOBUCHVPBPHMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00033792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

223.23

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.834

Distribution Coefficient, logD

1.834

Water Solubility, LogSw

-1.93

Polar Surface Area

50.362

Acid Dissociation Constant (pKa)

30.24

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

0074-0031 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Eye
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0074-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0074-0031?
Check Price and Availability of 0074-0031, 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 0074-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0074-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0074-0031
  • 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 0074-0031 available by request