Y031-8860 Screening compound: N-(3-chloro-4-fluorophenyl)nicotinamide

Y031-8860 Screening compound: N-(3-chloro-4-fluorophenyl)nicotinamide
Y031-8860 Screening compound: N-(3-chloro-4-fluorophenyl)nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-8860
N-(3-chloro-4-fluorophenyl)nicotinamide

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

Y031-8860

Molecular Formula

C12H8ClFN2O (C12 H8 ClFN2 O)

Compound Name

N-(3-chloro-4-fluorophenyl)nicotinamide

IUPAC name

N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide

SMILES

O=C(c1cnccc1)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C12H8ClFN2O/c13-10-6-9(3-4-11(10)14)16-12(17)8-2-1-5-15-7-8/h1-7H,(H,16,17)

InChI Key

SHZSADZRVMGPOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01213563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.66

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.563

Distribution Coefficient, logD

2.147

Water Solubility, LogSw

-3.58

Polar Surface Area

32.847

Acid Dissociation Constant (pKa)

7.19

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

Y031-8860 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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 Y031-8860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-8860?
Check Price and Availability of Y031-8860, 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 Y031-8860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-8860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-8860
  • 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 Y031-8860 available by request