C301-0225 Screening compound: 2-(3-methylphenyl)-5-{[(4-methylphenyl)methyl]amino}-4-nitro-2H-1,2,3-triazol-1-ium-1-olate

C301-0225 Screening compound: 2-(3-methylphenyl)-5-{[(4-methylphenyl)methyl]amino}-4-nitro-2H-1,2,3-triazol-1-ium-1-olate
C301-0225 Screening compound: 2-(3-methylphenyl)-5-{[(4-methylphenyl)methyl]amino}-4-nitro-2H-1,2,3-triazol-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0225
2-(3-methylphenyl)-5-{[(4-methylphenyl)methyl]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

C301-0225

Molecular Formula

C17H17N5O3 (C17 H17 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNc(c([N+]([O-])=O)nn2-c3cc(C)ccc3)[n+]2[O-])cc1

InChI

InChI=1S/C17H17N5O3/c1-12-6-8-14(9-7-12)11-18-16-17(22(24)25)19-20(21(16)23)15-5-3-4-13(2)10-15/h3-10,18H,11H2,1-2H3

InChI Key

FWYCYZUEHOPZKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.35

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

3.457

Distribution Coefficient, logD

3.457

Water Solubility, LogSw

-3.57

Polar Surface Area

77.406

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C301-0225 in Drug Discovery

Included in Screening Libraries

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 C301-0225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0225?
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What is the minimum amount of C301-0225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0225
  • 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 C301-0225 available by request