C360-0072 Screening compound: 5-[(2-methoxyphenyl)amino]-2-(2-methylphenyl)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate

C360-0072 Screening compound: 5-[(2-methoxyphenyl)amino]-2-(2-methylphenyl)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate
C360-0072 Screening compound: 5-[(2-methoxyphenyl)amino]-2-(2-methylphenyl)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound C360-0072
5-[(2-methoxyphenyl)amino]-2-(2-methylphenyl)-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

C360-0072

Molecular Formula

C16H15N5O4 (C16 H15 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1-n(nc1[N+]([O-])=O)[n+]([O-])c1Nc(cccc1)c1OC

InChI

InChI=1S/C16H15N5O4/c1-11-7-3-5-9-13(11)19-18-16(21(23)24)15(20(19)22)17-12-8-4-6-10-14(12)25-2/h3-10,17H,1-2H3

InChI Key

UXWTUNGWOQZMSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.33

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

3.425

Distribution Coefficient, logD

3.425

Water Solubility, LogSw

-3.70

Polar Surface Area

82.715

Acid Dissociation Constant (pKa)

14.22

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with C360-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C360-0072?
Check Price and Availability of C360-0072, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C360-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C360-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C360-0072
  • 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 C360-0072 available by request