D278-0760 Screening compound: 2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide

D278-0760 Screening compound: 2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
D278-0760 Screening compound: 2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D278-0760
2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}-N-[2-(trifluoromethyl)phenyl]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

D278-0760

Molecular Formula

C19H13F3N4OS (C19 H13 F3 N4 OS)

Compound Name

2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-{[124]triazolo[43-a]quinolin-1-ylsulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CSc1nnc2n1c(cccc1)c1cc2)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C19H13F3N4OS/c20-19(21,22)13-6-2-3-7-14(13)23-17(27)11-28-18-25-24-16-10-9-12-5-1-4-8-15(12)26(16)18/h1-10H,11H2,(H,23,27)

InChI Key

XQHKAKICRIMJCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06488598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.971

Distribution Coefficient, logD

3.971

Water Solubility, LogSw

-4.38

Polar Surface Area

43.533

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

D278-0760 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D278-0760 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D278-0760?
Check Price and Availability of D278-0760, 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 D278-0760 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D278-0760
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D278-0760
  • 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 D278-0760 available by request