P123-0301 Screening compound: N-{1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}-2H-1,3-benzodioxole-5-carboxamide

P123-0301 Screening compound: N-{1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}-2H-1,3-benzodioxole-5-carboxamide
P123-0301 Screening compound: N-{1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P123-0301
N-{1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}-2H-1,3-benzodioxole-5-carboxamide

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

P123-0301

Molecular Formula

C20H22N4O4 (C20 H22 N4 O4)

Compound Name

N-{1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-{1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}-2H-13-benzodioxole-5-carboxamide

SMILES

CC(C(N(CC1)CCN1c1ncccc1)=O)NC(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C20H22N4O4/c1-14(22-19(25)15-5-6-16-17(12-15)28-13-27-16)20(26)24-10-8-23(9-11-24)18-4-2-3-7-21-18/h2-7,12,14H,8-11,13H2,1H3,(H,22,25)/t14-/m0/s1

InChI Key

OUKYUWCBZCYVBO-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27565774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.895

Distribution Coefficient, logD

1.887

Water Solubility, LogSw

-2.55

Polar Surface Area

69.622

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

P123-0301 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with P123-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P123-0301?
Check Price and Availability of P123-0301, 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 P123-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P123-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P123-0301
  • 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 P123-0301 available by request