D717-0062 Screening compound: 3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

D717-0062 Screening compound: 3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
D717-0062 Screening compound: 3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D717-0062
3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-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

D717-0062

Molecular Formula

C11H11NO4 (C11 H11 NO4)

Compound Name

3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

IUPAC name

3-(2-methoxyphenyl)-45-dihydro-12-oxazole-5-carboxylic acid

SMILES

COc(cccc1)c1C(C1)=NOC1C(O)=O

InChI

InChI=1S/C11H11NO4/c1-15-9-5-3-2-4-7(9)8-6-10(11(13)14)16-12-8/h2-5,10H,6H2,1H3,(H,13,14)/t10-/m0/s1

InChI Key

DZQPCQZVKAAAJK-JTQLQIEISA-N

MDL Number (MFCD)

MFCD06011105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

221.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.202

Distribution Coefficient, logD

-2.278

Water Solubility, LogSw

-2.07

Polar Surface Area

58.870

Acid Dissociation Constant (pKa)

3.92

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

D717-0062 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic
Structure:
  • Fragments
Targets:
  • Others

References: we are preparing a list of scientific research reports with D717-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D717-0062?
Check Price and Availability of D717-0062, 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 D717-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D717-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D717-0062
  • 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 D717-0062 available by request