C301-0958 Screening compound: 2-(3-chlorophenyl)-5-(methylamino)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate

C301-0958 Screening compound: 2-(3-chlorophenyl)-5-(methylamino)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate
C301-0958 Screening compound: 2-(3-chlorophenyl)-5-(methylamino)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0958
2-(3-chlorophenyl)-5-(methylamino)-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

C301-0958

Molecular Formula

C9H8ClN5O3 (C9 H8 ClN5 O3)

Compound Name

2-(3-chlorophenyl)-5-(methylamino)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate

IUPAC name

2-(3-chlorophenyl)-5-(methylamino)-4-nitro-2H-123-triazol-1-ium-1-olate

SMILES

CNc(c([N+]([O-])=O)nn1-c2cccc(Cl)c2)[n+]1[O-]

InChI

InChI=1S/C9H8ClN5O3/c1-11-8-9(15(17)18)12-13(14(8)16)7-4-2-3-6(10)5-7/h2-5,11H,1H3

InChI Key

UCXZWNRFDRYGFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14742036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.865

Distribution Coefficient, logD

1.865

Water Solubility, LogSw

-2.70

Polar Surface Area

77.828

Acid Dissociation Constant (pKa)

15.41

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with C301-0958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0958?
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What is the minimum amount of C301-0958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0958
  • 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 C301-0958 available by request