D036-1730 Screening compound: 2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline

D036-1730 Screening compound: 2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline
D036-1730 Screening compound: 2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound D036-1730
2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline

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

D036-1730

Molecular Formula

C16H9F3N2O2S (C16 H9 F3 N2 O2 S)

Compound Name

2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline

IUPAC name

2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline

SMILES

[O-][N+](c(cc(C(F)(F)F)cc1)c1Sc1nc2ccccc2cc1)=O

InChI

InChI=1S/C16H9F3N2O2S/c17-16(18,19)11-6-7-14(13(9-11)21(22)23)24-15-8-5-10-3-1-2-4-12(10)20-15/h1-9H

InChI Key

ACLFXSMGWFAOEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.771

Distribution Coefficient, logD

5.771

Water Solubility, LogSw

-6.82

Polar Surface Area

40.739

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

D036-1730 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with D036-1730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D036-1730?
Check Price and Availability of D036-1730, 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 D036-1730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D036-1730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D036-1730
  • 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 D036-1730 available by request