V004-5575 Screening compound: 8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrido[1,2-a]quinoline-5-carboxylic acid

V004-5575 Screening compound: 8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrido[1,2-a]quinoline-5-carboxylic acid
V004-5575 Screening compound: 8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrido[1,2-a]quinoline-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5575
8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrido[1,2-a]quinoline-5-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

V004-5575

Molecular Formula

C15H16F3NO2 (C15 H16 F3 NO2)

Compound Name

8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrido[1,2-a]quinoline-5-carboxylic acid

IUPAC name

8-(trifluoromethyl)-1H2H3H4H4aH5H6H-pyrido[12-a]quinoline-5-carboxylic acid

SMILES

OC(C(C1)C(CCCC2)N2c2c1cc(C(F)(F)F)cc2)=O

InChI

InChI=1S/C15H16F3NO2/c16-15(17,18)10-4-5-12-9(7-10)8-11(14(20)21)13-3-1-2-6-19(12)13/h4-5,7,11,13H,1-3,6,8H2,(H,20,21)

InChI Key

LVLFPFZSEWHECU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19848027

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

299.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.820

Distribution Coefficient, logD

0.463

Water Solubility, LogSw

-3.12

Polar Surface Area

31.018

Acid Dissociation Constant (pKa)

5.04

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.30

V004-5575 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V004-5575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5575?
Check Price and Availability of V004-5575, 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 V004-5575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5575
  • 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 V004-5575 available by request