C301-0445 Screening compound: 2-(4-methoxyphenyl)-4-nitro-5-(phenylamino)-2H-1,2,3-triazol-1-ium-1-olate

C301-0445 Screening compound: 2-(4-methoxyphenyl)-4-nitro-5-(phenylamino)-2H-1,2,3-triazol-1-ium-1-olate
C301-0445 Screening compound: 2-(4-methoxyphenyl)-4-nitro-5-(phenylamino)-2H-1,2,3-triazol-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0445
2-(4-methoxyphenyl)-4-nitro-5-(phenylamino)-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

C301-0445

Molecular Formula

C15H13N5O4 (C15 H13 N5 O4)

Compound Name

2-(4-methoxyphenyl)-4-nitro-5-(phenylamino)-2H-1,2,3-triazol-1-ium-1-olate

IUPAC name

2-(4-methoxyphenyl)-4-nitro-5-(phenylamino)-2H-123-triazol-1-ium-1-olate

SMILES

COc(cc1)ccc1-n(nc1[N+]([O-])=O)[n+]([O-])c1Nc1ccccc1

InChI

InChI=1S/C15H13N5O4/c1-24-13-9-7-12(8-10-13)18-17-15(20(22)23)14(19(18)21)16-11-5-3-2-4-6-11/h2-10,16H,1H3

InChI Key

JYHDFVBSECBJFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.3

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

2.787

Distribution Coefficient, logD

2.787

Water Solubility, LogSw

-3.44

Polar Surface Area

83.627

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with C301-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0445?
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What is the minimum amount of C301-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0445
  • 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 C301-0445 available by request