C437-0238 Screening compound: 5-[(3,5-dimethoxyphenyl)amino]-2-(4-methoxyphenyl)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate

C437-0238 Screening compound: 5-[(3,5-dimethoxyphenyl)amino]-2-(4-methoxyphenyl)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate
C437-0238 Screening compound: 5-[(3,5-dimethoxyphenyl)amino]-2-(4-methoxyphenyl)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound C437-0238
5-[(3,5-dimethoxyphenyl)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

C437-0238

Molecular Formula

C17H17N5O6 (C17 H17 N5 O6)

Compound Name

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

IUPAC name

5-[(35-dimethoxyphenyl)amino]-2-(4-methoxyphenyl)-4-nitro-2H-123-triazol-1-ium-1-olate

SMILES

COc(cc1)ccc1-n(nc1[N+]([O-])=O)[n+]([O-])c1Nc1cc(OC)cc(OC)c1

InChI

InChI=1S/C17H17N5O6/c1-26-13-6-4-12(5-7-13)20-19-17(22(24)25)16(21(20)23)18-11-8-14(27-2)10-15(9-11)28-3/h4-10,18H,1-3H3

InChI Key

PFRHLGQOKRKVGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.118

Distribution Coefficient, logD

3.118

Water Solubility, LogSw

-3.47

Polar Surface Area

98.715

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C437-0238 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C437-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C437-0238?
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What is the minimum amount of C437-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C437-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C437-0238
  • 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 C437-0238 available by request