D717-0066 Screening compound: 3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

D717-0066 Screening compound: 3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
D717-0066 Screening compound: 3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D717-0066
3-(2,5-dimethoxyphenyl)-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

D717-0066

Molecular Formula

C12H13NO5 (C12 H13 NO5)

Compound Name

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

IUPAC name

3-(25-dimethoxyphenyl)-45-dihydro-12-oxazole-5-carboxylic acid

SMILES

COc(cc1)cc(C(C2)=NOC2C(O)=O)c1OC

InChI

InChI=1S/C12H13NO5/c1-16-7-3-4-10(17-2)8(5-7)9-6-11(12(14)15)18-13-9/h3-5,11H,6H2,1-2H3,(H,14,15)/t11-/m0/s1

InChI Key

TVKIPMFFMHSWBP-NSHDSACASA-N

MDL Number (MFCD)

MFCD09701761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.24

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.335

Distribution Coefficient, logD

-2.144

Water Solubility, LogSw

-2.11

Polar Surface Area

66.414

Acid Dissociation Constant (pKa)

3.92

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

D717-0066 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with D717-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D717-0066?
Check Price and Availability of D717-0066, 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 D717-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D717-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D717-0066
  • 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 D717-0066 available by request