P194-0109 Screening compound: 3-(2-phenylethyl)-6-(pyridin-4-yl)-2-(pyrrolidin-1-yl)-3,4-dihydropyrimidin-4-one

P194-0109 Screening compound: 3-(2-phenylethyl)-6-(pyridin-4-yl)-2-(pyrrolidin-1-yl)-3,4-dihydropyrimidin-4-one
P194-0109 Screening compound: 3-(2-phenylethyl)-6-(pyridin-4-yl)-2-(pyrrolidin-1-yl)-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P194-0109
3-(2-phenylethyl)-6-(pyridin-4-yl)-2-(pyrrolidin-1-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

P194-0109

Molecular Formula

C21H22N4O (C21 H22 N4 O)

Compound Name

3-(2-phenylethyl)-6-(pyridin-4-yl)-2-(pyrrolidin-1-yl)-3,4-dihydropyrimidin-4-one

IUPAC name

3-(2-phenylethyl)-6-(pyridin-4-yl)-2-(pyrrolidin-1-yl)-34-dihydropyrimidin-4-one

SMILES

O=C1N(CCc2ccccc2)C(N2CCCC2)=NC(c2ccncc2)=C1

InChI

InChI=1S/C21H22N4O/c26-20-16-19(18-8-11-22-12-9-18)23-21(24-13-4-5-14-24)25(20)15-10-17-6-2-1-3-7-17/h1-3,6-9,11-12,16H,4-5,10,13-15H2

InChI Key

BPVJHWQOXWJCKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28994815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.822

Distribution Coefficient, logD

2.822

Water Solubility, LogSw

-3.01

Polar Surface Area

38.958

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

P194-0109 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P194-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P194-0109?
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What is the minimum amount of P194-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P194-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P194-0109
  • 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 P194-0109 available by request