D012-0069 Screening compound: 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid

D012-0069 Screening compound: 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
D012-0069 Screening compound: 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D012-0069
5-methyl-3-phenyl-1,2-oxazole-4-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

D012-0069

Molecular Formula

C11H9NO3 (C11 H9 NO3)

Compound Name

5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid

IUPAC name

5-methyl-3-phenyl-12-oxazole-4-carboxylic acid

SMILES

Cc1c(C(O)=O)c(-c2ccccc2)no1

InChI

InChI=1S/C11H9NO3/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)

InChI Key

PENHKTNQUJMHIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00003153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

203.2

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.795

Distribution Coefficient, logD

-2.031

Water Solubility, LogSw

-1.86

Polar Surface Area

50.607

Acid Dissociation Constant (pKa)

3.57

Base Dissociation Constant (pKb)

-6.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

D012-0069 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

STING Agonist Library (5895 compounds)

Targeted Diversity Library (40567 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

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Eye
  • 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
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
  • Epigenetic
  • Receptor's ligands
Structure:
  • Fragments
Targets:
  • GPCR
  • Ion Channels
  • Others
  • Phosphatases
  • Phosphatases

References: we are preparing a list of scientific research reports with D012-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D012-0069?
Check Price and Availability of D012-0069, 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 D012-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D012-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D012-0069
  • 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 D012-0069 available by request