8016-7724 Screening compound: ethyl 3-{[4-(trifluoromethyl)anilino]carbonyl}-2-pyrazinecarboxylate

8016-7724 Screening compound: ethyl 3-{[4-(trifluoromethyl)anilino]carbonyl}-2-pyrazinecarboxylate
8016-7724 Screening compound: ethyl 3-{[4-(trifluoromethyl)anilino]carbonyl}-2-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7724
ethyl 3-{[4-(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

8016-7724

Molecular Formula

C15H12F3N3O3 (C15 H12 F3 N3 O3)

Compound Name

ethyl 3-{[4-(trifluoromethyl)anilino]carbonyl}-2-pyrazinecarboxylate

IUPAC name

ethyl 3-{[4-(trifluoromethyl)phenyl]carbamoyl}pyrazine-2-carboxylate

SMILES

CCOC(c1nccnc1C(Nc1ccc(C(F)(F)F)cc1)=O)=O

InChI

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

InChI Key

JLGJRQBLAOQCEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05859086

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

2.470

Distribution Coefficient, logD

2.469

Water Solubility, LogSw

-2.87

Polar Surface Area

63.720

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

-4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8016-7724 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Proteases Annotated Library (2868 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-7724 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7724?
Check Price and Availability of 8016-7724, 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 8016-7724 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7724
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7724
  • 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 8016-7724 available by request