P196-0513 Screening compound: 6-ethyl-3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-phenyl-3,4-dihydropyrimidin-4-one

P196-0513 Screening compound: 6-ethyl-3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-phenyl-3,4-dihydropyrimidin-4-one
P196-0513 Screening compound: 6-ethyl-3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-phenyl-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P196-0513
6-ethyl-3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-phenyl-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

P196-0513

Molecular Formula

C25H28N4O3 (C25 H28 N4 O3)

Compound Name

6-ethyl-3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-phenyl-3,4-dihydropyrimidin-4-one

IUPAC name

6-ethyl-3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-phenyl-34-dihydropyrimidin-4-one

SMILES

CCC(N=C(c1ccccc1)N1CC(N(CC2)CCN2c(cccc2)c2OC)=O)=CC1=O

InChI

InChI=1S/C25H28N4O3/c1-3-20-17-23(30)29(25(26-20)19-9-5-4-6-10-19)18-24(31)28-15-13-27(14-16-28)21-11-7-8-12-22(21)32-2/h4-12,17H,3,13-16,18H2,1-2H3

InChI Key

QACRLCFMQSKSPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29011622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.853

Distribution Coefficient, logD

2.850

Water Solubility, LogSw

-3.26

Polar Surface Area

53.072

Acid Dissociation Constant (pKa)

25.90

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

P196-0513 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Bromodomain Modulators Library (5801 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P196-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P196-0513?
Check Price and Availability of P196-0513, 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 P196-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P196-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P196-0513
  • 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 P196-0513 available by request