C301-0921 Screening compound: 2-(4-chlorophenyl)-5-[(3,4-dichlorophenyl)amino]-4-nitro-2H-1,2,3-triazol-1-ium-1-olate

C301-0921 Screening compound: 2-(4-chlorophenyl)-5-[(3,4-dichlorophenyl)amino]-4-nitro-2H-1,2,3-triazol-1-ium-1-olate
C301-0921 Screening compound: 2-(4-chlorophenyl)-5-[(3,4-dichlorophenyl)amino]-4-nitro-2H-1,2,3-triazol-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0921
2-(4-chlorophenyl)-5-[(3,4-dichlorophenyl)amino]-4-nitro-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

C301-0921

Molecular Formula

C14H8Cl3N5O3 (C14 H8 Cl3 N5 O3)

Compound Name

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

IUPAC name

2-(4-chlorophenyl)-5-[(34-dichlorophenyl)amino]-4-nitro-2H-123-triazol-1-ium-1-olate

SMILES

[O-][N+](c1nn(-c(cc2)ccc2Cl)[n+]([O-])c1Nc(cc1)cc(Cl)c1Cl)=O

InChI

InChI=1S/C14H8Cl3N5O3/c15-8-1-4-10(5-2-8)20-19-14(22(24)25)13(21(20)23)18-9-3-6-11(16)12(17)7-9/h1-7,18H

InChI Key

CZHBSPDLYUZYQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14742013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.065

Distribution Coefficient, logD

5.065

Water Solubility, LogSw

-5.48

Polar Surface Area

76.083

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with C301-0921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0921?
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What is the minimum amount of C301-0921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0921
  • 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 C301-0921 available by request