8020-2807 Screening compound: methyl 5-amino-1-[2-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate

8020-2807 Screening compound: methyl 5-amino-1-[2-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
8020-2807 Screening compound: methyl 5-amino-1-[2-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2807
methyl 5-amino-1-[2-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate

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

8020-2807

Molecular Formula

C11H9F3N4O2 (C11 H9 F3 N4 O2)

Compound Name

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

IUPAC name

methyl 5-amino-1-[2-(trifluoromethyl)phenyl]-1H-123-triazole-4-carboxylate

SMILES

COC(c1c(N)n(-c2c(C(F)(F)F)cccc2)nn1)=O

InChI

InChI=1S/C11H9F3N4O2/c1-20-10(19)8-9(15)18(17-16-8)7-5-3-2-4-6(7)11(12,13)14/h2-5H,15H2,1H3

InChI Key

RYBHSFUNGYYBQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11983440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.21

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.596

Distribution Coefficient, logD

1.596

Water Solubility, LogSw

-2.10

Polar Surface Area

67.205

Acid Dissociation Constant (pKa)

16.45

Base Dissociation Constant (pKb)

-3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

8020-2807 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8020-2807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2807?
Check Price and Availability of 8020-2807, 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 8020-2807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2807
  • 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 8020-2807 available by request