C437-0262 Screening compound: 5-[(2-chloro-4-methylphenyl)amino]-2-(4-methoxyphenyl)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate

C437-0262 Screening compound: 5-[(2-chloro-4-methylphenyl)amino]-2-(4-methoxyphenyl)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate
C437-0262 Screening compound: 5-[(2-chloro-4-methylphenyl)amino]-2-(4-methoxyphenyl)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound C437-0262
5-[(2-chloro-4-methylphenyl)amino]-2-(4-methoxyphenyl)-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

C437-0262

Molecular Formula

C16H14ClN5O4 (C16 H14 ClN5 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(Cl)c1Nc(c([N+]([O-])=O)nn1-c(cc2)ccc2OC)[n+]1[O-]

InChI

InChI=1S/C16H14ClN5O4/c1-10-3-8-14(13(17)9-10)18-15-16(22(24)25)19-20(21(15)23)11-4-6-12(26-2)7-5-11/h3-9,18H,1-2H3

InChI Key

ANSKOKHNLXCNQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06006513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.77

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

4.019

Distribution Coefficient, logD

4.019

Water Solubility, LogSw

-4.35

Polar Surface Area

82.929

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with C437-0262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C437-0262?
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What is the minimum amount of C437-0262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C437-0262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C437-0262
  • 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 C437-0262 available by request