F235-0782 Screening compound: 3,4-dihydro-1(2H)-quinolinyl[5-phenyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanone

F235-0782 Screening compound: 3,4-dihydro-1(2H)-quinolinyl[5-phenyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanone
F235-0782 Screening compound: 3,4-dihydro-1(2H)-quinolinyl[5-phenyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F235-0782
3,4-dihydro-1(2H)-quinolinyl[5-phenyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanone

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

F235-0782

Molecular Formula

C22H16F3N5O (C22 H16 F3 N5 O)

Compound Name

3,4-dihydro-1(2H)-quinolinyl[5-phenyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanone

IUPAC name

1-[5-phenyl-7-(trifluoromethyl)-[124]triazolo[15-a]pyrimidine-2-carbonyl]-1234-tetrahydroquinoline

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2n1)N(CCC1)c2c1cccc2

InChI

InChI=1S/C22H16F3N5O/c23-22(24,25)18-13-16(14-7-2-1-3-8-14)26-21-27-19(28-30(18)21)20(31)29-12-6-10-15-9-4-5-11-17(15)29/h1-5,7-9,11,13H,6,10,12H2

InChI Key

MQKWVNPFVJAAQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00996960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.835

Distribution Coefficient, logD

4.835

Water Solubility, LogSw

-4.89

Polar Surface Area

45.094

Acid Dissociation Constant (pKa)

25.15

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

F235-0782 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F235-0782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F235-0782?
Check Price and Availability of F235-0782, 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 F235-0782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F235-0782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F235-0782
  • 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 F235-0782 available by request