0052-0001 Screening compound: 3-fluoro-4-methoxybenzoic acid

0052-0001 Screening compound: 3-fluoro-4-methoxybenzoic acid
0052-0001 Screening compound: 3-fluoro-4-methoxybenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0052-0001
3-fluoro-4-methoxybenzoic 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

0052-0001

Molecular Formula

C8H7FO3 (C8 H7 FO3)

Compound Name

3-fluoro-4-methoxybenzoic acid

IUPAC name

3-fluoro-4-methoxybenzoic acid

SMILES

COc(ccc(C(O)=O)c1)c1F

InChI

InChI=1S/C8H7FO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11)

InChI Key

HYNNNQDQEORWEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00060675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

170.14

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.123

Distribution Coefficient, logD

-0.379

Water Solubility, LogSw

-2.35

Polar Surface Area

36.277

Acid Dissociation Constant (pKa)

4.90

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0052-0001 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

GABA Library (7115 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Eye
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Structure:
  • Pool
Targets:
  • GPCR
  • Ion Channels
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 0052-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0052-0001?
Check Price and Availability of 0052-0001, 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 0052-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0052-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0052-0001
  • 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 0052-0001 available by request