P198-0050 Screening compound: 6-({1,4-dioxa-8-azaspiro[4.5]decan-8-yl}methyl)-2-(propan-2-yl)-3,4-dihydropyrimidin-4-one

P198-0050 Screening compound: 6-({1,4-dioxa-8-azaspiro[4.5]decan-8-yl}methyl)-2-(propan-2-yl)-3,4-dihydropyrimidin-4-one
P198-0050 Screening compound: 6-({1,4-dioxa-8-azaspiro[4.5]decan-8-yl}methyl)-2-(propan-2-yl)-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P198-0050
6-({1,4-dioxa-8-azaspiro[4.5]decan-8-yl}methyl)-2-(propan-2-yl)-3,4-dihydropyrimidin-4-one

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

P198-0050

Molecular Formula

C15H23N3O3 (C15 H23 N3 O3)

Compound Name

6-({1,4-dioxa-8-azaspiro[4.5]decan-8-yl}methyl)-2-(propan-2-yl)-3,4-dihydropyrimidin-4-one

IUPAC name

6-({14-dioxa-8-azaspiro[4.5]decan-8-yl}methyl)-2-(propan-2-yl)-34-dihydropyrimidin-4-one

SMILES

CC(C)C(N1)=NC(CN(CC2)CCC22OCCO2)=CC1=O

InChI

InChI=1S/C15H23N3O3/c1-11(2)14-16-12(9-13(19)17-14)10-18-5-3-15(4-6-18)20-7-8-21-15/h9,11H,3-8,10H2,1-2H3,(H,16,17,19)

InChI Key

MZISXPDALCVOIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27569035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.791

Distribution Coefficient, logD

-1.469

Water Solubility, LogSw

-1.62

Polar Surface Area

53.738

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

8.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.30

P198-0050 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 P198-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P198-0050?
Check Price and Availability of P198-0050, 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 P198-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P198-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P198-0050
  • 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 P198-0050 available by request