P659-1593 Screening compound: 1-{5-methyl-2-[(3-methylpiperidin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine

P659-1593 Screening compound: 1-{5-methyl-2-[(3-methylpiperidin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine
P659-1593 Screening compound: 1-{5-methyl-2-[(3-methylpiperidin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound P659-1593
1-{5-methyl-2-[(3-methylpiperidin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine

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

P659-1593

Molecular Formula

C18H28N6 (C18 H28 N6)

Compound Name

1-{5-methyl-2-[(3-methylpiperidin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine

IUPAC name

1-{5-methyl-2-[(3-methylpiperidin-1-yl)methyl]-[124]triazolo[15-a]pyrimidin-7-yl}piperidine

SMILES

CC1CN(Cc2nn3c(N4CCCCC4)cc(C)nc3n2)CCC1

InChI

InChI=1S/C18H28N6/c1-14-7-6-8-22(12-14)13-16-20-18-19-15(2)11-17(24(18)21-16)23-9-4-3-5-10-23/h11,14H,3-10,12-13H2,1-2H3/t14-/m0/s1

InChI Key

XPOABHHZSTTWFF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27609824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.722

Distribution Coefficient, logD

2.072

Water Solubility, LogSw

-2.91

Polar Surface Area

38.045

Acid Dissociation Constant (pKa)

24.40

Base Dissociation Constant (pKb)

7.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.20

P659-1593 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

GABA Library (7115 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P659-1593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P659-1593?
Check Price and Availability of P659-1593, 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 P659-1593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P659-1593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P659-1593
  • 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 P659-1593 available by request