C359-0013 Screening compound: 5-[(3-methoxyphenyl)amino]-4-nitro-2-phenyl-2H-1,2,3-triazol-1-ium-1-olate

C359-0013 Screening compound: 5-[(3-methoxyphenyl)amino]-4-nitro-2-phenyl-2H-1,2,3-triazol-1-ium-1-olate
C359-0013 Screening compound: 5-[(3-methoxyphenyl)amino]-4-nitro-2-phenyl-2H-1,2,3-triazol-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound C359-0013
5-[(3-methoxyphenyl)amino]-4-nitro-2-phenyl-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

C359-0013

Molecular Formula

C15H13N5O4 (C15 H13 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(Nc(c([N+]([O-])=O)nn2-c3ccccc3)[n+]2[O-])c1

InChI

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

InChI Key

VGYBXWFFTAGOHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752433

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

2.941

Distribution Coefficient, logD

2.941

Water Solubility, LogSw

-3.44

Polar Surface Area

83.627

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with C359-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C359-0013?
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What is the minimum amount of C359-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C359-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C359-0013
  • 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 C359-0013 available by request