8016-7723 Screening compound: ethyl 3-{[3-(trifluoromethyl)anilino]carbonyl}-2-pyrazinecarboxylate

8016-7723 Screening compound: ethyl 3-{[3-(trifluoromethyl)anilino]carbonyl}-2-pyrazinecarboxylate
8016-7723 Screening compound: ethyl 3-{[3-(trifluoromethyl)anilino]carbonyl}-2-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7723
ethyl 3-{[3-(trifluoromethyl)anilino]carbonyl}-2-pyrazinecarboxylate

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

8016-7723

Molecular Formula

C15H12F3N3O3 (C15 H12 F3 N3 O3)

Compound Name

ethyl 3-{[3-(trifluoromethyl)anilino]carbonyl}-2-pyrazinecarboxylate

IUPAC name

ethyl 3-{[3-(trifluoromethyl)phenyl]carbamoyl}pyrazine-2-carboxylate

SMILES

CCOC(c1nccnc1C(Nc1cccc(C(F)(F)F)c1)=O)=O

InChI

InChI=1S/C15H12F3N3O3/c1-2-24-14(23)12-11(19-6-7-20-12)13(22)21-10-5-3-4-9(8-10)15(16,17)18/h3-8H,2H2,1H3,(H,21,22)

InChI Key

NJSGUQXJEIBQDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05859085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.641

Distribution Coefficient, logD

2.516

Water Solubility, LogSw

-3.04

Polar Surface Area

63.720

Acid Dissociation Constant (pKa)

7.88

Base Dissociation Constant (pKb)

-4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8016-7723 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8016-7723 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7723?
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What is the minimum amount of 8016-7723 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7723
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7723
  • 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 8016-7723 available by request