P197-0050 Screening compound: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5,6-dimethyl-3,4-dihydropyrimidin-4-one

P197-0050 Screening compound: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5,6-dimethyl-3,4-dihydropyrimidin-4-one
P197-0050 Screening compound: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5,6-dimethyl-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P197-0050
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5,6-dimethyl-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

P197-0050

Molecular Formula

C17H21ClN4O (C17 H21 ClN4 O)

Compound Name

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5,6-dimethyl-3,4-dihydropyrimidin-4-one

IUPAC name

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-56-dimethyl-34-dihydropyrimidin-4-one

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(N1)=NC(C)=C(C)C1=O

InChI

InChI=1S/C17H21ClN4O/c1-11-4-5-14(18)10-15(11)21-6-8-22(9-7-21)17-19-13(3)12(2)16(23)20-17/h4-5,10H,6-9H2,1-3H3,(H,19,20,23)

InChI Key

QECAGCSXRAJEMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27569001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.83

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.256

Distribution Coefficient, logD

3.249

Water Solubility, LogSw

-3.52

Polar Surface Area

40.568

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

P197-0050 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with P197-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P197-0050?
Check Price and Availability of P197-0050, 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 P197-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P197-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P197-0050
  • 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 P197-0050 available by request