P559-0021 Screening compound: ethyl 1-{[1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]methyl}piperidine-4-carboxylate

P559-0021 Screening compound: ethyl 1-{[1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]methyl}piperidine-4-carboxylate
P559-0021 Screening compound: ethyl 1-{[1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]methyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound P559-0021
ethyl 1-{[1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]methyl}piperidine-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

P559-0021

Molecular Formula

C18H23FN4O2 (C18 H23 FN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C1CCN(Cc2c(C)n(-c(cc3)ccc3F)nn2)CC1)=O

InChI

InChI=1S/C18H23FN4O2/c1-3-25-18(24)14-8-10-22(11-9-14)12-17-13(2)23(21-20-17)16-6-4-15(19)5-7-16/h4-7,14H,3,8-12H2,1-2H3

InChI Key

BPWWVYVJVZHBPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27604390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.244

Distribution Coefficient, logD

0.949

Water Solubility, LogSw

-2.38

Polar Surface Area

52.063

Acid Dissociation Constant (pKa)

22.90

Base Dissociation Constant (pKb)

8.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

P559-0021 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with P559-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P559-0021?
Check Price and Availability of P559-0021, 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 P559-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P559-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P559-0021
  • 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 P559-0021 available by request