8017-6134 Screening compound: ethyl 3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxylate

8017-6134 Screening compound: ethyl 3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxylate
8017-6134 Screening compound: ethyl 3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6134
ethyl 3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-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

8017-6134

Molecular Formula

C12H9F3N2O3 (C12 H9 F3 N2 O3)

Compound Name

ethyl 3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxylate

IUPAC name

ethyl 3-[4-(trifluoromethyl)phenyl]-124-oxadiazole-5-carboxylate

SMILES

CCOC(c1nc(-c2ccc(C(F)(F)F)cc2)no1)=O

InChI

InChI=1S/C12H9F3N2O3/c1-2-19-11(18)10-16-9(17-20-10)7-3-5-8(6-4-7)12(13,14)15/h3-6H,2H2,1H3

InChI Key

VDTVVMFQLPTAOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06616902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.691

Distribution Coefficient, logD

3.691

Water Solubility, LogSw

-3.90

Polar Surface Area

52.669

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

-8.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8017-6134 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 8017-6134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6134?
Check Price and Availability of 8017-6134, 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 8017-6134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6134
  • 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 8017-6134 available by request