P197-0052 Screening compound: 2-[4-(furan-2-carbonyl)piperazin-1-yl]-5,6-dimethyl-3,4-dihydropyrimidin-4-one

P197-0052 Screening compound: 2-[4-(furan-2-carbonyl)piperazin-1-yl]-5,6-dimethyl-3,4-dihydropyrimidin-4-one
P197-0052 Screening compound: 2-[4-(furan-2-carbonyl)piperazin-1-yl]-5,6-dimethyl-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P197-0052
2-[4-(furan-2-carbonyl)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

P197-0052

Molecular Formula

C15H18N4O3 (C15 H18 N4 O3)

Compound Name

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

IUPAC name

2-[4-(furan-2-carbonyl)piperazin-1-yl]-56-dimethyl-34-dihydropyrimidin-4-one

SMILES

CC(C(N1)=O)=C(C)N=C1N(CC1)CCN1C(c1ccco1)=O

InChI

InChI=1S/C15H18N4O3/c1-10-11(2)16-15(17-13(10)20)19-7-5-18(6-8-19)14(21)12-4-3-9-22-12/h3-4,9H,5-8H2,1-2H3,(H,16,17,20)

InChI Key

OQMMRSIRWZGALI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06755339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.546

Distribution Coefficient, logD

0.540

Water Solubility, LogSw

-1.62

Polar Surface Area

62.643

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

P197-0052 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Soluble Diversity Library (15920 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with P197-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P197-0052?
Check Price and Availability of P197-0052, 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 P197-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P197-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P197-0052
  • 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 P197-0052 available by request