P123-0797 Screening compound: 3-fluoro-4-methyl-N-{1-oxo-3-phenyl-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}benzamide

P123-0797 Screening compound: 3-fluoro-4-methyl-N-{1-oxo-3-phenyl-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}benzamide
P123-0797 Screening compound: 3-fluoro-4-methyl-N-{1-oxo-3-phenyl-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P123-0797
3-fluoro-4-methyl-N-{1-oxo-3-phenyl-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}benzamide

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

P123-0797

Molecular Formula

C26H27FN4O2 (C26 H27 FN4 O2)

Compound Name

3-fluoro-4-methyl-N-{1-oxo-3-phenyl-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}benzamide

IUPAC name

3-fluoro-4-methyl-N-{1-oxo-3-phenyl-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}benzamide

SMILES

Cc(ccc(C(NC(Cc1ccccc1)C(N(CC1)CCN1c1ncccc1)=O)=O)c1)c1F

InChI

InChI=1S/C26H27FN4O2/c1-19-10-11-21(18-22(19)27)25(32)29-23(17-20-7-3-2-4-8-20)26(33)31-15-13-30(14-16-31)24-9-5-6-12-28-24/h2-12,18,23H,13-17H2,1H3,(H,29,32)/t23-/m0/s1

InChI Key

LLECWHYJHMYMGE-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD27565799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.233

Distribution Coefficient, logD

4.223

Water Solubility, LogSw

-4.25

Polar Surface Area

52.702

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

P123-0797 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P123-0797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P123-0797?
Check Price and Availability of P123-0797, 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 P123-0797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P123-0797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P123-0797
  • 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 P123-0797 available by request