C695-0087 Screening compound: 2-phenyl-6-{[3-(trifluoromethyl)phenyl]methyl}-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

C695-0087 Screening compound: 2-phenyl-6-{[3-(trifluoromethyl)phenyl]methyl}-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
C695-0087 Screening compound: 2-phenyl-6-{[3-(trifluoromethyl)phenyl]methyl}-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C695-0087
2-phenyl-6-{[3-(trifluoromethyl)phenyl]methyl}-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

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

C695-0087

Molecular Formula

C23H15F3N4O (C23 H15 F3 N4 O)

Compound Name

2-phenyl-6-{[3-(trifluoromethyl)phenyl]methyl}-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

IUPAC name

2-phenyl-6-{[3-(trifluoromethyl)phenyl]methyl}-5H6H-[124]triazolo[15-c]quinazolin-5-one

SMILES

O=C1N(Cc2cccc(C(F)(F)F)c2)c(cccc2)c2-c2nc(-c3ccccc3)nn12

InChI

InChI=1S/C23H15F3N4O/c24-23(25,26)17-10-6-7-15(13-17)14-29-19-12-5-4-11-18(19)21-27-20(28-30(21)22(29)31)16-8-2-1-3-9-16/h1-13H,14H2

InChI Key

ZNDBGWCYDNZHOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.508

Distribution Coefficient, logD

5.508

Water Solubility, LogSw

-5.98

Polar Surface Area

39.095

Acid Dissociation Constant (pKa)

25.16

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

C695-0087 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C695-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C695-0087?
Check Price and Availability of C695-0087, 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 C695-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C695-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C695-0087
  • 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 C695-0087 available by request