0052-0024 Screening compound: 3-fluoro-4-methoxybenzonitrile

0052-0024 Screening compound: 3-fluoro-4-methoxybenzonitrile
0052-0024 Screening compound: 3-fluoro-4-methoxybenzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 0052-0024
3-fluoro-4-methoxybenzonitrile

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

0052-0024

Molecular Formula

C8H6FNO (C8 H6 FNO)

Compound Name

3-fluoro-4-methoxybenzonitrile

IUPAC name

3-fluoro-4-methoxybenzonitrile

SMILES

COc(ccc(C#N)c1)c1F

InChI

InChI=1S/C8H6FNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3

InChI Key

FEEOVAOEPGQDTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00215835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

151.14

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

1.861

Distribution Coefficient, logD

1.861

Water Solubility, LogSw

-1.98

Polar Surface Area

24.925

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0052-0024 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

STING Agonist Library (5895 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0052-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0052-0024?
Check Price and Availability of 0052-0024, 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 0052-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0052-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0052-0024
  • 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 0052-0024 available by request