C323-0022 Screening compound: 5-[(4-ethylphenyl)amino]-4-nitro-2-phenyl-2H-1,2,3-triazol-1-ium-1-olate

C323-0022 Screening compound: 5-[(4-ethylphenyl)amino]-4-nitro-2-phenyl-2H-1,2,3-triazol-1-ium-1-olate
C323-0022 Screening compound: 5-[(4-ethylphenyl)amino]-4-nitro-2-phenyl-2H-1,2,3-triazol-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound C323-0022
5-[(4-ethylphenyl)amino]-4-nitro-2-phenyl-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

C323-0022

Molecular Formula

C16H15N5O3 (C16 H15 N5 O3)

Compound Name

5-[(4-ethylphenyl)amino]-4-nitro-2-phenyl-2H-1,2,3-triazol-1-ium-1-olate

IUPAC name

5-[(4-ethylphenyl)amino]-4-nitro-2-phenyl-2H-123-triazol-1-ium-1-olate

SMILES

CCc(cc1)ccc1Nc(c([N+]([O-])=O)nn1-c2ccccc2)[n+]1[O-]

InChI

InChI=1S/C16H15N5O3/c1-2-12-8-10-13(11-9-12)17-15-16(21(23)24)18-19(20(15)22)14-6-4-3-5-7-14/h3-11,17H,2H2,1H3

InChI Key

TVDWLDDNBLQLFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06006837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.805

Distribution Coefficient, logD

3.805

Water Solubility, LogSw

-3.94

Polar Surface Area

76.083

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C323-0022 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 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 C323-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C323-0022?
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What is the minimum amount of C323-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C323-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C323-0022
  • 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 C323-0022 available by request