C301-1781 Screening compound: 1-[3-nitro-4-(piperidin-1-yl)benzoyl]-4-(pyridin-2-yl)piperazine

C301-1781 Screening compound: 1-[3-nitro-4-(piperidin-1-yl)benzoyl]-4-(pyridin-2-yl)piperazine
C301-1781 Screening compound: 1-[3-nitro-4-(piperidin-1-yl)benzoyl]-4-(pyridin-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-1781
1-[3-nitro-4-(piperidin-1-yl)benzoyl]-4-(pyridin-2-yl)piperazine

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

C301-1781

Molecular Formula

C21H25N5O3 (C21 H25 N5 O3)

Compound Name

1-[3-nitro-4-(piperidin-1-yl)benzoyl]-4-(pyridin-2-yl)piperazine

IUPAC name

1-[3-nitro-4-(piperidin-1-yl)benzoyl]-4-(pyridin-2-yl)piperazine

SMILES

[O-][N+](c(cc(cc1)C(N(CC2)CCN2c2ncccc2)=O)c1N1CCCCC1)=O

InChI

InChI=1S/C21H25N5O3/c27-21(25-14-12-24(13-15-25)20-6-2-3-9-22-20)17-7-8-18(19(16-17)26(28)29)23-10-4-1-5-11-23/h2-3,6-9,16H,1,4-5,10-15H2

InChI Key

JOKCCLWCDKUGHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07668752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.102

Distribution Coefficient, logD

3.093

Water Solubility, LogSw

-3.50

Polar Surface Area

64.890

Acid Dissociation Constant (pKa)

24.69

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C301-1781 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-1781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-1781?
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What is the minimum amount of C301-1781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-1781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-1781
  • 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 C301-1781 available by request