8019-1867 Screening compound: ethyl 5-benzoyl-3-isoxazolecarboxylate

8019-1867 Screening compound: ethyl 5-benzoyl-3-isoxazolecarboxylate
8019-1867 Screening compound: ethyl 5-benzoyl-3-isoxazolecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1867
ethyl 5-benzoyl-3-isoxazolecarboxylate

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

8019-1867

Molecular Formula

C13H11NO4 (C13 H11 NO4)

Compound Name

ethyl 5-benzoyl-3-isoxazolecarboxylate

IUPAC name

ethyl 5-benzoyl-12-oxazole-3-carboxylate

SMILES

CCOC(c1noc(C(c2ccccc2)=O)c1)=O

InChI

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

InChI Key

GBGMRACAYBETBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09028343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

245.23

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.493

Distribution Coefficient, logD

2.493

Water Solubility, LogSw

-2.72

Polar Surface Area

56.266

Acid Dissociation Constant (pKa)

30.24

Base Dissociation Constant (pKb)

-12.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

8019-1867 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8019-1867 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1867?
Check Price and Availability of 8019-1867, 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 8019-1867 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1867
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1867
  • 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 8019-1867 available by request