P198-0696 Screening compound: 6-{[4-(butan-2-yl)piperazin-1-yl]methyl}-2-(pyridin-3-yl)-3,4-dihydropyrimidin-4-one

P198-0696 Screening compound: 6-{[4-(butan-2-yl)piperazin-1-yl]methyl}-2-(pyridin-3-yl)-3,4-dihydropyrimidin-4-one
P198-0696 Screening compound: 6-{[4-(butan-2-yl)piperazin-1-yl]methyl}-2-(pyridin-3-yl)-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P198-0696
6-{[4-(butan-2-yl)piperazin-1-yl]methyl}-2-(pyridin-3-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

P198-0696

Molecular Formula

C18H25N5O (C18 H25 N5 O)

Compound Name

6-{[4-(butan-2-yl)piperazin-1-yl]methyl}-2-(pyridin-3-yl)-3,4-dihydropyrimidin-4-one

IUPAC name

6-{[4-(butan-2-yl)piperazin-1-yl]methyl}-2-(pyridin-3-yl)-34-dihydropyrimidin-4-one

SMILES

CCC(C)N1CCN(CC(N=C(c2cnccc2)N2)=CC2=O)CC1

InChI

InChI=1S/C18H25N5O/c1-3-14(2)23-9-7-22(8-10-23)13-16-11-17(24)21-18(20-16)15-5-4-6-19-12-15/h4-6,11-12,14H,3,7-10,13H2,1-2H3,(H,20,21,24)/t14-/m0/s1

InChI Key

VAPOVBADADWEEL-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27569058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.670

Distribution Coefficient, logD

0.670

Water Solubility, LogSw

-1.31

Polar Surface Area

51.996

Acid Dissociation Constant (pKa)

5.78

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

P198-0696 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

GPCR Targeted Library (31838 compounds)

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • Epigenetic
Targets:
  • GPCR
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with P198-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P198-0696?
Check Price and Availability of P198-0696, 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 P198-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P198-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P198-0696
  • 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 P198-0696 available by request