1332-0018 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)acetic acid

1332-0018 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)acetic acid
1332-0018 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1332-0018
2-(1,3-benzoxazol-2-ylsulfanyl)acetic 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

1332-0018

Molecular Formula

C9H7NO3S (C9 H7 NO3 S)

Compound Name

2-(1,3-benzoxazol-2-ylsulfanyl)acetic acid

IUPAC name

2-(13-benzoxazol-2-ylsulfanyl)acetic acid

SMILES

OC(CSc1nc(cccc2)c2o1)=O

InChI

InChI=1S/C9H7NO3S/c11-8(12)5-14-9-10-6-3-1-2-4-7(6)13-9/h1-4H,5H2,(H,11,12)

InChI Key

MZIJIHZQKNAQBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00463910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

209.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.755

Distribution Coefficient, logD

-1.689

Water Solubility, LogSw

-1.98

Polar Surface Area

45.286

Acid Dissociation Constant (pKa)

3.96

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

1332-0018 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Fragments Library (11262 compounds)

Frequent Hitters Library (7624 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1332-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1332-0018?
Check Price and Availability of 1332-0018, 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 1332-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1332-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1332-0018
  • 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 1332-0018 available by request