8019-8583 Screening compound: 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid

8019-8583 Screening compound: 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid
8019-8583 Screening compound: 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8583
5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid

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

8019-8583

Molecular Formula

C11H8F3N3O2 (C11 H8 F3 N3 O2)

Compound Name

5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid

IUPAC name

5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-124-triazole-3-carboxylic acid

SMILES

Cc1nc(C(O)=O)nn1-c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C11H8F3N3O2/c1-6-15-9(10(18)19)16-17(6)8-4-2-3-7(5-8)11(12,13)14/h2-5H,1H3,(H,18,19)

InChI Key

KYNHXXIWJLMWTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00172392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.2

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.939

Distribution Coefficient, logD

-3.613

Water Solubility, LogSw

-2.07

Polar Surface Area

53.346

Acid Dissociation Constant (pKa)

1.85

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

8019-8583 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-8583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8583?
Check Price and Availability of 8019-8583, 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 8019-8583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8583
  • 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 8019-8583 available by request