8020-0137 Screening compound: 4-bromo-5-methyl-2-thiophenecarboxylic acid

8020-0137 Screening compound: 4-bromo-5-methyl-2-thiophenecarboxylic acid
8020-0137 Screening compound: 4-bromo-5-methyl-2-thiophenecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0137
4-bromo-5-methyl-2-thiophenecarboxylic 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

8020-0137

Molecular Formula

C6H5BrO2S (C6 H5 BrO2 S)

Compound Name

4-bromo-5-methyl-2-thiophenecarboxylic acid

IUPAC name

4-bromo-5-methylthiophene-2-carboxylic acid

SMILES

Cc(sc(C(O)=O)c1)c1Br

InChI

InChI=1S/C6H5BrO2S/c1-3-4(7)2-5(10-3)6(8)9/h2H,1H3,(H,8,9)

InChI Key

JUPQMRVILHTCOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01859873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

221.07

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

2.282

Distribution Coefficient, logD

-0.975

Water Solubility, LogSw

-1.94

Polar Surface Area

29.665

Acid Dissociation Constant (pKa)

4.14

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8020-0137 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Regenerative Medicine Focused Library (23016 compounds)

STING Agonist Library (5895 compounds)

Crystallographic and 19F NMR fragment-libraries (624 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

Structure:
  • Fragments
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0137?
Check Price and Availability of 8020-0137, 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 8020-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0137
  • 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 8020-0137 available by request