P559-0016 Screening compound: benzyl(ethyl){[1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]methyl}amine

P559-0016 Screening compound: benzyl(ethyl){[1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]methyl}amine
P559-0016 Screening compound: benzyl(ethyl){[1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]methyl}amine alternative view

Chemical Structure Depiction of ChemDiv screening compound P559-0016
benzyl(ethyl){[1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]methyl}amine

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

P559-0016

Molecular Formula

C19H21FN4 (C19 H21 FN4)

Compound Name

benzyl(ethyl){[1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]methyl}amine

IUPAC name

benzyl(ethyl){[1-(4-fluorophenyl)-5-methyl-1H-123-triazol-4-yl]methyl}amine

SMILES

CCN(Cc1c(C)n(-c(cc2)ccc2F)nn1)Cc1ccccc1

InChI

InChI=1S/C19H21FN4/c1-3-23(13-16-7-5-4-6-8-16)14-19-15(2)24(22-21-19)18-11-9-17(20)10-12-18/h4-12H,3,13-14H2,1-2H3

InChI Key

BBFQWJZBQAMEAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27604389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.356

Distribution Coefficient, logD

2.916

Water Solubility, LogSw

-3.28

Polar Surface Area

31.013

Acid Dissociation Constant (pKa)

22.90

Base Dissociation Constant (pKb)

7.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

P559-0016 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with P559-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P559-0016?
Check Price and Availability of P559-0016, 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 P559-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P559-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P559-0016
  • 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 P559-0016 available by request