8016-9561 Screening compound: 3,3-diphenyl-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one

8016-9561 Screening compound: 3,3-diphenyl-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one
8016-9561 Screening compound: 3,3-diphenyl-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9561
3,3-diphenyl-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-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

8016-9561

Molecular Formula

C23H24N4O (C23 H24 N4 O)

Compound Name

3,3-diphenyl-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one

IUPAC name

33-diphenyl-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one

SMILES

O=C(CC(c1ccccc1)c1ccccc1)N(CC1)CCN1c1ncccn1

InChI

InChI=1S/C23H24N4O/c28-22(26-14-16-27(17-15-26)23-24-12-7-13-25-23)18-21(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,21H,14-18H2

InChI Key

YIENILJTVQXNRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03397211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.856

Distribution Coefficient, logD

3.856

Water Solubility, LogSw

-3.99

Polar Surface Area

37.710

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

8016-9561 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8016-9561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9561?
Check Price and Availability of 8016-9561, 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 8016-9561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9561
  • 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 8016-9561 available by request