0591-4871 Screening compound: [1,1'-biphenyl]-4-yl pyridine-3-carboxylate

0591-4871 Screening compound: [1,1'-biphenyl]-4-yl pyridine-3-carboxylate
0591-4871 Screening compound: [1,1'-biphenyl]-4-yl pyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0591-4871
[1,1'-biphenyl]-4-yl pyridine-3-carboxylate

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

0591-4871

Molecular Formula

C18H13NO2 (C18 H13 NO2)

Compound Name

[1,1'-biphenyl]-4-yl pyridine-3-carboxylate

IUPAC name

[11'-biphenyl]-4-yl pyridine-3-carboxylate

SMILES

O=C(c1cnccc1)Oc(cc1)ccc1-c1ccccc1

InChI

InChI=1S/C18H13NO2/c20-18(16-7-4-12-19-13-16)21-17-10-8-15(9-11-17)14-5-2-1-3-6-14/h1-13H

InChI Key

JNRWJDGDSFQCBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.634

Distribution Coefficient, logD

3.634

Water Solubility, LogSw

-3.82

Polar Surface Area

29.863

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0591-4871 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0591-4871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0591-4871?
Check Price and Availability of 0591-4871, 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 0591-4871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0591-4871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0591-4871
  • 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 0591-4871 available by request