P559-0443 Screening compound: N-butyl-N-methyl-N-[(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)methyl]amine

P559-0443 Screening compound: N-butyl-N-methyl-N-[(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)methyl]amine
P559-0443 Screening compound: N-butyl-N-methyl-N-[(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound P559-0443
N-butyl-N-methyl-N-[(5-methyl-1-phenyl-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

P559-0443

Molecular Formula

C15H22N4 (C15 H22 N4)

Compound Name

N-butyl-N-methyl-N-[(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)methyl]amine

IUPAC name

butyl(methyl)[(5-methyl-1-phenyl-1H-123-triazol-4-yl)methyl]amine

SMILES

CCCCN(C)Cc1c(C)n(-c2ccccc2)nn1

InChI

InChI=1S/C15H22N4/c1-4-5-11-18(3)12-15-13(2)19(17-16-15)14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3

InChI Key

XQUKZJVYTDCZTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27604416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.37

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

2.512

Distribution Coefficient, logD

1.283

Water Solubility, LogSw

-2.35

Polar Surface Area

31.671

Acid Dissociation Constant (pKa)

22.90

Base Dissociation Constant (pKb)

8.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.67

P559-0443 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 P559-0443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P559-0443?
Check Price and Availability of P559-0443, 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 P559-0443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P559-0443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P559-0443
  • 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 P559-0443 available by request