0777-4980 Screening compound: 6-(ethoxycarbonyl)pyridine-2-carboxylic acid

0777-4980 Screening compound: 6-(ethoxycarbonyl)pyridine-2-carboxylic acid
0777-4980 Screening compound: 6-(ethoxycarbonyl)pyridine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0777-4980
6-(ethoxycarbonyl)pyridine-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

0777-4980

Molecular Formula

C9H9NO4 (C9 H9 NO4)

Compound Name

6-(ethoxycarbonyl)pyridine-2-carboxylic acid

IUPAC name

6-(ethoxycarbonyl)pyridine-2-carboxylic acid

SMILES

CCOC(c1nc(C(O)=O)ccc1)=O

InChI

InChI=1S/C9H9NO4/c1-2-14-9(13)7-5-3-4-6(10-7)8(11)12/h3-5H,2H2,1H3,(H,11,12)

InChI Key

MFCXAUVIKVGIFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

195.17

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.973

Distribution Coefficient, logD

-4.413

Water Solubility, LogSw

-1.66

Polar Surface Area

58.016

Acid Dissociation Constant (pKa)

2.01

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

0777-4980 in Drug Discovery

Included in Screening Libraries

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0777-4980 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0777-4980?
Check Price and Availability of 0777-4980, 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 0777-4980 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0777-4980
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0777-4980
  • 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 0777-4980 available by request