C301-0216 Screening compound: 2-(3-methylphenyl)-4-nitro-5-{[(pyridin-3-yl)methyl]amino}-2H-1,2,3-triazol-1-ium-1-olate

C301-0216 Screening compound: 2-(3-methylphenyl)-4-nitro-5-{[(pyridin-3-yl)methyl]amino}-2H-1,2,3-triazol-1-ium-1-olate
C301-0216 Screening compound: 2-(3-methylphenyl)-4-nitro-5-{[(pyridin-3-yl)methyl]amino}-2H-1,2,3-triazol-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0216
2-(3-methylphenyl)-4-nitro-5-{[(pyridin-3-yl)methyl]amino}-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

C301-0216

Molecular Formula

C15H14N6O3 (C15 H14 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-n(nc2[N+]([O-])=O)[n+]([O-])c2NCc2cnccc2)c1

InChI

InChI=1S/C15H14N6O3/c1-11-4-2-6-13(8-11)19-18-15(21(23)24)14(20(19)22)17-10-12-5-3-7-16-9-12/h2-9,17H,10H2,1H3

InChI Key

BHASPCOIVGGJKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06006799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.806

Distribution Coefficient, logD

1.791

Water Solubility, LogSw

-1.36

Polar Surface Area

86.923

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

C301-0216 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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 C301-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0216?
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What is the minimum amount of C301-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0216
  • 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 C301-0216 available by request