Y043-0179 Screening compound: 4-(1,3-benzothiazol-2-yl)butanoic acid

Y043-0179 Screening compound: 4-(1,3-benzothiazol-2-yl)butanoic acid
Y043-0179 Screening compound: 4-(1,3-benzothiazol-2-yl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-0179
4-(1,3-benzothiazol-2-yl)butanoic 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

Y043-0179

Molecular Formula

C11H11NO2S (C11 H11 NO2 S)

Compound Name

4-(1,3-benzothiazol-2-yl)butanoic acid

IUPAC name

4-(13-benzothiazol-2-yl)butanoic acid

SMILES

OC(CCCc1nc(cccc2)c2s1)=O

InChI

InChI=1S/C11H11NO2S/c13-11(14)7-3-6-10-12-8-4-1-2-5-9(8)15-10/h1-2,4-5H,3,6-7H2,(H,13,14)

InChI Key

DOTLYHUQAIHKEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00160099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

221.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.330

Distribution Coefficient, logD

-0.444

Water Solubility, LogSw

-2.47

Polar Surface Area

38.838

Acid Dissociation Constant (pKa)

4.63

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

Y043-0179 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Fragments Library (11262 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • 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

References: we are preparing a list of scientific research reports with Y043-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-0179?
Check Price and Availability of Y043-0179, 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 Y043-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-0179
  • 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 Y043-0179 available by request