C323-0019 Screening compound: 4-nitro-2-phenyl-5-(4-phenylpiperazin-1-yl)-2H-1,2,3-triazol-1-ium-1-olate

C323-0019 Screening compound: 4-nitro-2-phenyl-5-(4-phenylpiperazin-1-yl)-2H-1,2,3-triazol-1-ium-1-olate
C323-0019 Screening compound: 4-nitro-2-phenyl-5-(4-phenylpiperazin-1-yl)-2H-1,2,3-triazol-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound C323-0019
4-nitro-2-phenyl-5-(4-phenylpiperazin-1-yl)-2H-1,2,3-triazol-1-ium-1-olate

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

C323-0019

Molecular Formula

C18H18N6O3 (C18 H18 N6 O3)

Compound Name

4-nitro-2-phenyl-5-(4-phenylpiperazin-1-yl)-2H-1,2,3-triazol-1-ium-1-olate

IUPAC name

4-nitro-2-phenyl-5-(4-phenylpiperazin-1-yl)-2H-123-triazol-1-ium-1-olate

SMILES

[O-][N+](c1nn(-c2ccccc2)[n+]([O-])c1N(CC1)CCN1c1ccccc1)=O

InChI

InChI=1S/C18H18N6O3/c25-23-18(17(24(26)27)19-22(23)16-9-5-2-6-10-16)21-13-11-20(12-14-21)15-7-3-1-4-8-15/h1-10H,11-14H2

InChI Key

BAROTEGTSYTJQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06005606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.214

Distribution Coefficient, logD

3.214

Water Solubility, LogSw

-3.25

Polar Surface Area

73.018

Acid Dissociation Constant (pKa)

27.17

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C323-0019 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C323-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C323-0019?
Check Price and Availability of C323-0019, 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 C323-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C323-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C323-0019
  • 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 C323-0019 available by request