8016-0889 Screening compound: 2-fluorobenzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate

8016-0889 Screening compound: 2-fluorobenzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate
8016-0889 Screening compound: 2-fluorobenzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0889
2-fluorobenzyl 5-amino-2-phenyl-2H-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

8016-0889

Molecular Formula

C16H13FN4O2 (C16 H13 FN4 O2)

Compound Name

2-fluorobenzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate

IUPAC name

(2-fluorophenyl)methyl 5-amino-2-phenyl-2H-123-triazole-4-carboxylate

SMILES

Nc1nn(-c2ccccc2)nc1C(OCc(cccc1)c1F)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.228

Distribution Coefficient, logD

2.228

Water Solubility, LogSw

-2.36

Polar Surface Area

66.896

Acid Dissociation Constant (pKa)

17.30

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

8016-0889 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-0889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0889?
Check Price and Availability of 8016-0889, 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 8016-0889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0889
  • 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 8016-0889 available by request