Y040-9472 Screening compound: 5-(2-chlorophenyl)thiophene-2-carboxylic acid

Y040-9472 Screening compound: 5-(2-chlorophenyl)thiophene-2-carboxylic acid
Y040-9472 Screening compound: 5-(2-chlorophenyl)thiophene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9472
5-(2-chlorophenyl)thiophene-2-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

Y040-9472

Molecular Formula

C11H7ClO2S (C11 H7 ClO2 S)

Compound Name

5-(2-chlorophenyl)thiophene-2-carboxylic acid

IUPAC name

5-(2-chlorophenyl)thiophene-2-carboxylic acid

SMILES

OC(c1ccc(-c(cccc2)c2Cl)s1)=O

InChI

InChI=1S/C11H7ClO2S/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)

InChI Key

NOTFXXFIWUZPOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06801922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.69

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.625

Distribution Coefficient, logD

-1.483

Water Solubility, LogSw

-3.62

Polar Surface Area

29.393

Acid Dissociation Constant (pKa)

2.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

Y040-9472 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-9472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9472?
Check Price and Availability of Y040-9472, 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 Y040-9472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9472
  • 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 Y040-9472 available by request