C301-0864 Screening compound: 2-(4-chlorophenyl)-5-[(5-fluoro-2-methylphenyl)amino]-4-nitro-2H-1,2,3-triazol-1-ium-1-olate

C301-0864 Screening compound: 2-(4-chlorophenyl)-5-[(5-fluoro-2-methylphenyl)amino]-4-nitro-2H-1,2,3-triazol-1-ium-1-olate
C301-0864 Screening compound: 2-(4-chlorophenyl)-5-[(5-fluoro-2-methylphenyl)amino]-4-nitro-2H-1,2,3-triazol-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0864
2-(4-chlorophenyl)-5-[(5-fluoro-2-methylphenyl)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

C301-0864

Molecular Formula

C15H11ClFN5O3 (C15 H11 ClFN5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(F)c1)c1Nc(c([N+]([O-])=O)nn1-c(cc2)ccc2Cl)[n+]1[O-]

InChI

InChI=1S/C15H11ClFN5O3/c1-9-2-5-11(17)8-13(9)18-14-15(22(24)25)19-20(21(14)23)12-6-3-10(16)4-7-12/h2-8,18H,1H3

InChI Key

VKNFYBNHXQJSRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06006559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.74

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

3.830

Distribution Coefficient, logD

3.830

Water Solubility, LogSw

-4.29

Polar Surface Area

75.386

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with C301-0864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0864?
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What is the minimum amount of C301-0864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0864
  • 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 C301-0864 available by request