P198-0009 Screening compound: 6-[(3-methylpiperidino)methyl]-2-phenyl-4(3H)-pyrimidinone

P198-0009 Screening compound: 6-[(3-methylpiperidino)methyl]-2-phenyl-4(3H)-pyrimidinone
P198-0009 Screening compound: 6-[(3-methylpiperidino)methyl]-2-phenyl-4(3H)-pyrimidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound P198-0009
6-[(3-methylpiperidino)methyl]-2-phenyl-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

P198-0009

Molecular Formula

C17H21N3O (C17 H21 N3 O)

Compound Name

6-[(3-methylpiperidino)methyl]-2-phenyl-4(3H)-pyrimidinone

IUPAC name

6-[(3-methylpiperidin-1-yl)methyl]-2-phenyl-34-dihydropyrimidin-4-one

SMILES

CC1CN(CC(N=C(c2ccccc2)N2)=CC2=O)CCC1

InChI

InChI=1S/C17H21N3O/c1-13-6-5-9-20(11-13)12-15-10-16(21)19-17(18-15)14-7-3-2-4-8-14/h2-4,7-8,10,13H,5-6,9,11-12H2,1H3,(H,18,19,21)/t13-/m0/s1

InChI Key

ULLUMVFKQXKGQP-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27569013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.131

Distribution Coefficient, logD

2.131

Water Solubility, LogSw

-2.74

Polar Surface Area

38.963

Acid Dissociation Constant (pKa)

6.47

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.18

P198-0009 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P198-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P198-0009?
Check Price and Availability of P198-0009, 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 P198-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P198-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P198-0009
  • 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 P198-0009 available by request