P559-0418 Screening compound: ethyl 1-[(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)methyl]-3-piperidinecarboxylate

P559-0418 Screening compound: ethyl 1-[(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)methyl]-3-piperidinecarboxylate
P559-0418 Screening compound: ethyl 1-[(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)methyl]-3-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound P559-0418
ethyl 1-[(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)methyl]-3-piperidinecarboxylate

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

P559-0418

Molecular Formula

C18H24N4O2 (C18 H24 N4 O2)

Compound Name

ethyl 1-[(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)methyl]-3-piperidinecarboxylate

IUPAC name

ethyl 1-[(5-methyl-1-phenyl-1H-123-triazol-4-yl)methyl]piperidine-3-carboxylate

SMILES

CCOC(C1CN(Cc2c(C)n(-c3ccccc3)nn2)CCC1)=O

InChI

InChI=1S/C18H24N4O2/c1-3-24-18(23)15-8-7-11-21(12-15)13-17-14(2)22(20-19-17)16-9-5-4-6-10-16/h4-6,9-10,15H,3,7-8,11-13H2,1-2H3/t15-/m0/s1

InChI Key

DBYNOHOJOVRMCJ-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.41

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

2.020

Distribution Coefficient, logD

1.751

Water Solubility, LogSw

-2.17

Polar Surface Area

51.996

Acid Dissociation Constant (pKa)

22.31

Base Dissociation Constant (pKb)

7.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

P559-0418 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with P559-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P559-0418?
Check Price and Availability of P559-0418, 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 P559-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P559-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P559-0418
  • 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 P559-0418 available by request