6047-0001 Screening compound: methyl 5-phenyl-1,2-oxazole-3-carboxylate

6047-0001 Screening compound: methyl 5-phenyl-1,2-oxazole-3-carboxylate
6047-0001 Screening compound: methyl 5-phenyl-1,2-oxazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6047-0001
methyl 5-phenyl-1,2-oxazole-3-carboxylate

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

6047-0001

Molecular Formula

C11H9NO3 (C11 H9 NO3)

Compound Name

methyl 5-phenyl-1,2-oxazole-3-carboxylate

IUPAC name

methyl 5-phenyl-12-oxazole-3-carboxylate

SMILES

COC(c1noc(-c2ccccc2)c1)=O

InChI

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

InChI Key

XMPLCJOQBDGMKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02159553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

203.2

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.347

Distribution Coefficient, logD

2.347

Water Solubility, LogSw

-2.61

Polar Surface Area

42.948

Acid Dissociation Constant (pKa)

34.19

Base Dissociation Constant (pKb)

-8.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

6047-0001 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

GABA Library (7115 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

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

References: we are preparing a list of scientific research reports with 6047-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6047-0001?
Check Price and Availability of 6047-0001, 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 6047-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6047-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6047-0001
  • 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 6047-0001 available by request