P123-0544 Screening compound: N-{3-methyl-1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]butan-2-yl}cyclobutanecarboxamide

P123-0544 Screening compound: N-{3-methyl-1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]butan-2-yl}cyclobutanecarboxamide
P123-0544 Screening compound: N-{3-methyl-1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]butan-2-yl}cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P123-0544
N-{3-methyl-1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]butan-2-yl}cyclobutanecarboxamide

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

P123-0544

Molecular Formula

C19H28N4O2 (C19 H28 N4 O2)

Compound Name

N-{3-methyl-1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]butan-2-yl}cyclobutanecarboxamide

IUPAC name

N-{3-methyl-1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]butan-2-yl}cyclobutanecarboxamide

SMILES

CC(C)C(C(N(CC1)CCN1c1ncccc1)=O)NC(C1CCC1)=O

InChI

InChI=1S/C19H28N4O2/c1-14(2)17(21-18(24)15-6-5-7-15)19(25)23-12-10-22(11-13-23)16-8-3-4-9-20-16/h3-4,8-9,14-15,17H,5-7,10-13H2,1-2H3,(H,21,24)/t17-/m0/s1

InChI Key

MCPUUVVRPTVSJV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27565792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.412

Distribution Coefficient, logD

1.403

Water Solubility, LogSw

-1.79

Polar Surface Area

53.219

Acid Dissociation Constant (pKa)

13.62

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.20

P123-0544 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with P123-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P123-0544?
Check Price and Availability of P123-0544, 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 P123-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P123-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P123-0544
  • 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 P123-0544 available by request