C301-0227 Screening compound: 5-[(3-fluorophenyl)amino]-2-(3-methylphenyl)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate

C301-0227 Screening compound: 5-[(3-fluorophenyl)amino]-2-(3-methylphenyl)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate
C301-0227 Screening compound: 5-[(3-fluorophenyl)amino]-2-(3-methylphenyl)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0227
5-[(3-fluorophenyl)amino]-2-(3-methylphenyl)-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

C301-0227

Molecular Formula

C15H12FN5O3 (C15 H12 FN5 O3)

Compound Name

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

IUPAC name

5-[(3-fluorophenyl)amino]-2-(3-methylphenyl)-4-nitro-2H-123-triazol-1-ium-1-olate

SMILES

Cc1cccc(-n(nc2[N+]([O-])=O)[n+]([O-])c2Nc2cccc(F)c2)c1

InChI

InChI=1S/C15H12FN5O3/c1-10-4-2-7-13(8-10)19-18-15(21(23)24)14(20(19)22)17-12-6-3-5-11(16)9-12/h2-9,17H,1H3

InChI Key

PZPUOKMIESLEJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.29

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

3.617

Distribution Coefficient, logD

3.617

Water Solubility, LogSw

-3.71

Polar Surface Area

76.083

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with C301-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0227?
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What is the minimum amount of C301-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0227
  • 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 C301-0227 available by request