FF51-1059 Screening compound: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

FF51-1059 Screening compound: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
FF51-1059 Screening compound: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound FF51-1059
4,5,6,7-tetrahydro-1-benzothiophene-3-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

FF51-1059

Molecular Formula

C9H10O2S (C9 H10 O2 S)

Compound Name

4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

IUPAC name

4567-tetrahydro-1-benzothiophene-3-carboxylic acid

SMILES

OC(c1csc2c1CCCC2)=O

InChI

InChI=1S/C9H10O2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h5H,1-4H2,(H,10,11)

InChI Key

TUZZQEHPGHKGRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00652575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

182.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.808

Distribution Coefficient, logD

0.931

Water Solubility, LogSw

-2.96

Polar Surface Area

29.586

Acid Dissociation Constant (pKa)

5.53

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

FF51-1059 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
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 FF51-1059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound FF51-1059?
Check Price and Availability of FF51-1059, 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 FF51-1059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for FF51-1059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for FF51-1059
  • 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 FF51-1059 available by request