1726-0001 Screening compound: 5-(methylsulfanyl)thiophene-2-carboxylic acid

1726-0001 Screening compound: 5-(methylsulfanyl)thiophene-2-carboxylic acid
1726-0001 Screening compound: 5-(methylsulfanyl)thiophene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1726-0001
5-(methylsulfanyl)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

1726-0001

Molecular Formula

C6H6O2S2 (C6 H6 O2 S2)

Compound Name

5-(methylsulfanyl)thiophene-2-carboxylic acid

IUPAC name

5-(methylsulfanyl)thiophene-2-carboxylic acid

SMILES

CSc1ccc(C(O)=O)s1

InChI

InChI=1S/C6H6O2S2/c1-9-5-3-2-4(10-5)6(7)8/h2-3H,1H3,(H,7,8)

InChI Key

FWFWUSLBIIIIEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00173742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

174.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

1.875

Distribution Coefficient, logD

-1.922

Water Solubility, LogSw

-2.05

Polar Surface Area

29.665

Acid Dissociation Constant (pKa)

3.60

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

1726-0001 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

STING Agonist Library (5895 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with 1726-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1726-0001?
Check Price and Availability of 1726-0001, 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 1726-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1726-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1726-0001
  • 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 1726-0001 available by request