C066-3729 Screening compound: ethyl 4H-chromeno[3,4-d][1,2]oxazole-3-carboxylate

C066-3729 Screening compound: ethyl 4H-chromeno[3,4-d][1,2]oxazole-3-carboxylate
C066-3729 Screening compound: ethyl 4H-chromeno[3,4-d][1,2]oxazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-3729
ethyl 4H-chromeno[3,4-d][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

C066-3729

Molecular Formula

C13H11NO4 (C13 H11 NO4)

Compound Name

ethyl 4H-chromeno[3,4-d][1,2]oxazole-3-carboxylate

IUPAC name

ethyl 4H-chromeno[34-d][12]oxazole-3-carboxylate

SMILES

CCOC(c1noc-2c1COc1c2cccc1)=O

InChI

InChI=1S/C13H11NO4/c1-2-16-13(15)11-9-7-17-10-6-4-3-5-8(10)12(9)18-14-11/h3-6H,2,7H2,1H3

InChI Key

LDSXQAPAHSEGPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

245.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.420

Distribution Coefficient, logD

2.420

Water Solubility, LogSw

-2.63

Polar Surface Area

51.522

Acid Dissociation Constant (pKa)

19.32

Base Dissociation Constant (pKb)

-9.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C066-3729 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C066-3729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-3729?
Check Price and Availability of C066-3729, 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 C066-3729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-3729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-3729
  • 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 C066-3729 available by request