R314-0020 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carboxylic acid

R314-0020 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carboxylic acid
R314-0020 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R314-0020
5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-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

R314-0020

Molecular Formula

C11H7NO5 (C11 H7 NO5)

Compound Name

5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carboxylic acid

IUPAC name

5-(2H-13-benzodioxol-5-yl)-12-oxazole-3-carboxylic acid

SMILES

OC(c1noc(-c(cc2)cc3c2OCO3)c1)=O

InChI

InChI=1S/C11H7NO5/c13-11(14)7-4-9(17-12-7)6-1-2-8-10(3-6)16-5-15-8/h1-4H,5H2,(H,13,14)

InChI Key

QJHNOWCMLRIBJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04113953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.18

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.844

Distribution Coefficient, logD

-3.386

Water Solubility, LogSw

-1.99

Polar Surface Area

67.297

Acid Dissociation Constant (pKa)

2.17

Base Dissociation Constant (pKb)

-7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

R314-0020 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Soluble Diversity Library (15920 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

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Eye
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
  • Receptor's ligands
Structure:
  • Fragments
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
  • Phosphatases

References: we are preparing a list of scientific research reports with R314-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R314-0020?
Check Price and Availability of R314-0020, 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 R314-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R314-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R314-0020
  • 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 R314-0020 available by request