C301-0422 Screening compound: 5-[(3-methylbutyl)amino]-2-(3-methylphenyl)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate

C301-0422 Screening compound: 5-[(3-methylbutyl)amino]-2-(3-methylphenyl)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate
C301-0422 Screening compound: 5-[(3-methylbutyl)amino]-2-(3-methylphenyl)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0422
5-[(3-methylbutyl)amino]-2-(3-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

C301-0422

Molecular Formula

C14H19N5O3 (C14 H19 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCNc(c([N+]([O-])=O)nn1-c2cc(C)ccc2)[n+]1[O-]

InChI

InChI=1S/C14H19N5O3/c1-10(2)7-8-15-13-14(19(21)22)16-17(18(13)20)12-6-4-5-11(3)9-12/h4-6,9-10,15H,7-8H2,1-3H3

InChI Key

HNMAXERTJMFMHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.483

Distribution Coefficient, logD

3.483

Water Solubility, LogSw

-3.65

Polar Surface Area

77.519

Acid Dissociation Constant (pKa)

14.46

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with C301-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0422?
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What is the minimum amount of C301-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0422
  • 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 C301-0422 available by request