P194-0437 Screening compound: 6-(methoxymethyl)-3-(2-piperidinoethyl)-2-(1-pyrrolidinyl)-4(3H)-pyrimidinone

P194-0437 Screening compound: 6-(methoxymethyl)-3-(2-piperidinoethyl)-2-(1-pyrrolidinyl)-4(3H)-pyrimidinone
P194-0437 Screening compound: 6-(methoxymethyl)-3-(2-piperidinoethyl)-2-(1-pyrrolidinyl)-4(3H)-pyrimidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound P194-0437
6-(methoxymethyl)-3-(2-piperidinoethyl)-2-(1-pyrrolidinyl)-4(3H)-pyrimidinone

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

P194-0437

Molecular Formula

C17H28N4O2 (C17 H28 N4 O2)

Compound Name

6-(methoxymethyl)-3-(2-piperidinoethyl)-2-(1-pyrrolidinyl)-4(3H)-pyrimidinone

IUPAC name

6-(methoxymethyl)-3-[2-(piperidin-1-yl)ethyl]-2-(pyrrolidin-1-yl)-34-dihydropyrimidin-4-one

SMILES

COCC(N=C(N1CCCC1)N1CCN2CCCCC2)=CC1=O

InChI

InChI=1S/C17H28N4O2/c1-23-14-15-13-16(22)21(12-11-19-7-3-2-4-8-19)17(18-15)20-9-5-6-10-20/h13H,2-12,14H2,1H3

InChI Key

VLXBXMSMEZTWQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28994871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.295

Distribution Coefficient, logD

-2.247

Water Solubility, LogSw

-1.27

Polar Surface Area

42.314

Acid Dissociation Constant (pKa)

25.87

Base Dissociation Constant (pKb)

10.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

76.47

P194-0437 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with P194-0437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P194-0437?
Check Price and Availability of P194-0437, 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 P194-0437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P194-0437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P194-0437
  • 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 P194-0437 available by request