2707-0017 Screening compound: ethyl 3-[2-(trifluoromethyl)phenyl]-5-isoxazolecarboxylate

2707-0017 Screening compound: ethyl 3-[2-(trifluoromethyl)phenyl]-5-isoxazolecarboxylate
2707-0017 Screening compound: ethyl 3-[2-(trifluoromethyl)phenyl]-5-isoxazolecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2707-0017
ethyl 3-[2-(trifluoromethyl)phenyl]-5-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

2707-0017

Molecular Formula

C13H10F3NO3 (C13 H10 F3 NO3)

Compound Name

ethyl 3-[2-(trifluoromethyl)phenyl]-5-isoxazolecarboxylate

IUPAC name

ethyl 3-[2-(trifluoromethyl)phenyl]-12-oxazole-5-carboxylate

SMILES

CCOC(c1cc(-c2c(C(F)(F)F)cccc2)no1)=O

InChI

InChI=1S/C13H10F3NO3/c1-2-19-12(18)11-7-10(17-20-11)8-5-3-4-6-9(8)13(14,15)16/h3-7H,2H2,1H3

InChI Key

VJXSBLOOHYKFML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02737737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.462

Distribution Coefficient, logD

3.462

Water Solubility, LogSw

-3.73

Polar Surface Area

42.527

Acid Dissociation Constant (pKa)

30.24

Base Dissociation Constant (pKb)

-7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

2707-0017 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2707-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2707-0017?
Check Price and Availability of 2707-0017, 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 2707-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2707-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2707-0017
  • 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 2707-0017 available by request