P659-1242 Screening compound: 8-{[5-methyl-7-(pyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}-1,4-dioxa-8-azaspiro[4.5]decane

P659-1242 Screening compound: 8-{[5-methyl-7-(pyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}-1,4-dioxa-8-azaspiro[4.5]decane
P659-1242 Screening compound: 8-{[5-methyl-7-(pyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound P659-1242
8-{[5-methyl-7-(pyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}-1,4-dioxa-8-azaspiro[4.5]decane

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

P659-1242

Molecular Formula

C18H26N6O2 (C18 H26 N6 O2)

Compound Name

8-{[5-methyl-7-(pyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-{[5-methyl-7-(pyrrolidin-1-yl)-[124]triazolo[15-a]pyrimidin-2-yl]methyl}-14-dioxa-8-azaspiro[4.5]decane

SMILES

Cc1nc2nc(CN(CC3)CCC33OCCO3)nn2c(N2CCCC2)c1

InChI

InChI=1S/C18H26N6O2/c1-14-12-16(23-6-2-3-7-23)24-17(19-14)20-15(21-24)13-22-8-4-18(5-9-22)25-10-11-26-18/h12H,2-11,13H2,1H3

InChI Key

CRZHEYWGQYVQFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27609795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.338

Distribution Coefficient, logD

1.126

Water Solubility, LogSw

-1.35

Polar Surface Area

52.915

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

7.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.20

P659-1242 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P659-1242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P659-1242?
Check Price and Availability of P659-1242, 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 P659-1242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P659-1242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P659-1242
  • 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 P659-1242 available by request