C437-0273 Screening compound: 5-[(3-ethylphenyl)amino]-2-(4-methoxyphenyl)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate

C437-0273 Screening compound: 5-[(3-ethylphenyl)amino]-2-(4-methoxyphenyl)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate
C437-0273 Screening compound: 5-[(3-ethylphenyl)amino]-2-(4-methoxyphenyl)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound C437-0273
5-[(3-ethylphenyl)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

C437-0273

Molecular Formula

C17H17N5O4 (C17 H17 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

CCc1cccc(Nc(c([N+]([O-])=O)nn2-c(cc3)ccc3OC)[n+]2[O-])c1

InChI

InChI=1S/C17H17N5O4/c1-3-12-5-4-6-13(11-12)18-16-17(22(24)25)19-20(21(16)23)14-7-9-15(26-2)10-8-14/h4-11,18H,3H2,1-2H3

InChI Key

RIYWDCYVZHCUNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06006183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.769

Distribution Coefficient, logD

3.769

Water Solubility, LogSw

-3.99

Polar Surface Area

83.627

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with C437-0273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C437-0273?
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What is the minimum amount of C437-0273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C437-0273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C437-0273
  • 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 C437-0273 available by request