5867-3993 Screening compound: 2-({4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide

5867-3993 Screening compound: 2-({4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
5867-3993 Screening compound: 2-({4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5867-3993
2-({4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)-N-[3-(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

5867-3993

Molecular Formula

C20H15F3N4OS (C20 H15 F3 N4 OS)

Compound Name

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

IUPAC name

2-({4-methyl-[124]triazolo[43-a]quinolin-1-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

Cc1cc(cccc2)c2n2c(SCC(Nc3cc(C(F)(F)F)ccc3)=O)nnc12

InChI

InChI=1S/C20H15F3N4OS/c1-12-9-13-5-2-3-8-16(13)27-18(12)25-26-19(27)29-11-17(28)24-15-7-4-6-14(10-15)20(21,22)23/h2-10H,11H2,1H3,(H,24,28)

InChI Key

YSMHDGMVBZEXJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03994333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.43

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

5.000

Distribution Coefficient, logD

4.999

Water Solubility, LogSw

-5.26

Polar Surface Area

44.778

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

5867-3993 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 5867-3993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5867-3993?
Check Price and Availability of 5867-3993, 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 5867-3993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5867-3993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5867-3993
  • 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 5867-3993 available by request