8016-9504 Screening compound: 6-fluoro-2-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}quinoline-4-carboxylic acid

8016-9504 Screening compound: 6-fluoro-2-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}quinoline-4-carboxylic acid
8016-9504 Screening compound: 6-fluoro-2-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}quinoline-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9504
6-fluoro-2-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}quinoline-4-carboxylic acid

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

8016-9504

Molecular Formula

C21H11F4NO3 (C21 H11 F4 NO3)

Compound Name

6-fluoro-2-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}quinoline-4-carboxylic acid

IUPAC name

6-fluoro-2-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}quinoline-4-carboxylic acid

SMILES

OC(c1c(cc(cc2)F)c2nc(-c2ccc(-c3c(C(F)(F)F)cccc3)o2)c1)=O

InChI

InChI=1S/C21H11F4NO3/c22-11-5-6-16-13(9-11)14(20(27)28)10-17(26-16)19-8-7-18(29-19)12-3-1-2-4-15(12)21(23,24)25/h1-10H,(H,27,28)

InChI Key

WNSZAPZTBVPKAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.848

Distribution Coefficient, logD

1.641

Water Solubility, LogSw

-5.87

Polar Surface Area

45.105

Acid Dissociation Constant (pKa)

3.19

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

8016-9504 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

Antibacterial Compounds Library (13827 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8016-9504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9504?
Check Price and Availability of 8016-9504, 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 8016-9504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9504
  • 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 8016-9504 available by request