T815-0681 Screening compound: 7-[3-(trifluoromethoxy)benzoyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine

T815-0681 Screening compound: 7-[3-(trifluoromethoxy)benzoyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
T815-0681 Screening compound: 7-[3-(trifluoromethoxy)benzoyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound T815-0681
7-[3-(trifluoromethoxy)benzoyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine

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

T815-0681

Molecular Formula

C13H11F3N4O2 (C13 H11 F3 N4 O2)

Compound Name

7-[3-(trifluoromethoxy)benzoyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine

IUPAC name

7-[3-(trifluoromethoxy)benzoyl]-5H6H7H8H-[124]triazolo[43-a]pyrazine

SMILES

O=C(c1cccc(OC(F)(F)F)c1)N1Cc2nncn2CC1

InChI

InChI=1S/C13H11F3N4O2/c14-13(15,16)22-10-3-1-2-9(6-10)12(21)19-4-5-20-8-17-18-11(20)7-19/h1-3,6,8H,4-5,7H2

InChI Key

DKVRULXMIGDWMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.25

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

1.170

Distribution Coefficient, logD

1.170

Water Solubility, LogSw

-2.04

Polar Surface Area

48.826

Acid Dissociation Constant (pKa)

20.38

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

T815-0681 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

GABA Library (7115 compounds)

TLR-8 ligands Library (674 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
  • Eye
  • Female
  • Skin
  • Immune system
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels
  • Others
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with T815-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T815-0681?
Check Price and Availability of T815-0681, 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 T815-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T815-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T815-0681
  • 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 T815-0681 available by request