C301-0395 Screening compound: 2-(3-methylphenyl)-5-[(4-methylphenyl)amino]-4-nitro-2H-1,2,3-triazol-1-ium-1-olate

C301-0395 Screening compound: 2-(3-methylphenyl)-5-[(4-methylphenyl)amino]-4-nitro-2H-1,2,3-triazol-1-ium-1-olate
C301-0395 Screening compound: 2-(3-methylphenyl)-5-[(4-methylphenyl)amino]-4-nitro-2H-1,2,3-triazol-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0395
2-(3-methylphenyl)-5-[(4-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

C301-0395

Molecular Formula

C16H15N5O3 (C16 H15 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1Nc(c([N+]([O-])=O)nn1-c2cc(C)ccc2)[n+]1[O-]

InChI

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

InChI Key

KTGQFWBVWRBGAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741781

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

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.887

Distribution Coefficient, logD

3.887

Water Solubility, LogSw

-3.87

Polar Surface Area

76.083

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with C301-0395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0395?
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What is the minimum amount of C301-0395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0395
  • 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 C301-0395 available by request