6049-2303 Screening compound: 2,2,2-trifluoro-N-(2-methylquinolin-8-yl)acetamide

6049-2303 Screening compound: 2,2,2-trifluoro-N-(2-methylquinolin-8-yl)acetamide
6049-2303 Screening compound: 2,2,2-trifluoro-N-(2-methylquinolin-8-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-2303
2,2,2-trifluoro-N-(2-methylquinolin-8-yl)acetamide

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

6049-2303

Molecular Formula

C12H9F3N2O (C12 H9 F3 N2 O)

Compound Name

2,2,2-trifluoro-N-(2-methylquinolin-8-yl)acetamide

IUPAC name

222-trifluoro-N-(2-methylquinolin-8-yl)acetamide

SMILES

Cc1ccc(cccc2NC(C(F)(F)F)=O)c2n1

InChI

InChI=1S/C12H9F3N2O/c1-7-5-6-8-3-2-4-9(10(8)16-7)17-11(18)12(13,14)15/h2-6H,1H3,(H,17,18)

InChI Key

OQPXWXNHOKPRTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02606049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.21

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.026

Distribution Coefficient, logD

2.703

Water Solubility, LogSw

-3.41

Polar Surface Area

31.811

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

6049-2303 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Fragments
Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6049-2303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-2303?
Check Price and Availability of 6049-2303, 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 6049-2303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-2303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-2303
  • 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 6049-2303 available by request