P578-0073 Screening compound: 8-{1-[6-(piperidin-1-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

P578-0073 Screening compound: 8-{1-[6-(piperidin-1-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
P578-0073 Screening compound: 8-{1-[6-(piperidin-1-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound P578-0073
8-{1-[6-(piperidin-1-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}-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

P578-0073

Molecular Formula

C20H26N6O3 (C20 H26 N6 O3)

Compound Name

8-{1-[6-(piperidin-1-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-{1-[6-(piperidin-1-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}-14-dioxa-8-azaspiro[4.5]decane

SMILES

O=C(c(nc1)cn1-c1ncnc(N2CCCCC2)c1)N(CC1)CCC11OCCO1

InChI

InChI=1S/C20H26N6O3/c27-19(25-8-4-20(5-9-25)28-10-11-29-20)16-13-26(15-23-16)18-12-17(21-14-22-18)24-6-2-1-3-7-24/h12-15H,1-11H2

InChI Key

PPKIVRIMGVDZFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22596758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.375

Distribution Coefficient, logD

2.374

Water Solubility, LogSw

-2.44

Polar Surface Area

65.751

Acid Dissociation Constant (pKa)

22.72

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

P578-0073 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 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
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P578-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P578-0073?
Check Price and Availability of P578-0073, 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 P578-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P578-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P578-0073
  • 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 P578-0073 available by request