C301-0671 Screening compound: 2-(4-chlorophenyl)-5-{[2-(3-methylphenyl)ethyl]amino}-4-nitro-2H-1,2,3-triazol-1-ium-1-olate

C301-0671 Screening compound: 2-(4-chlorophenyl)-5-{[2-(3-methylphenyl)ethyl]amino}-4-nitro-2H-1,2,3-triazol-1-ium-1-olate
C301-0671 Screening compound: 2-(4-chlorophenyl)-5-{[2-(3-methylphenyl)ethyl]amino}-4-nitro-2H-1,2,3-triazol-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0671
2-(4-chlorophenyl)-5-{[2-(3-methylphenyl)ethyl]amino}-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

C301-0671

Molecular Formula

C17H16ClN5O3 (C17 H16 ClN5 O3)

Compound Name

2-(4-chlorophenyl)-5-{[2-(3-methylphenyl)ethyl]amino}-4-nitro-2H-1,2,3-triazol-1-ium-1-olate

IUPAC name

2-(4-chlorophenyl)-5-{[2-(3-methylphenyl)ethyl]amino}-4-nitro-2H-123-triazol-1-ium-1-olate

SMILES

Cc1cccc(CCNc(c([N+]([O-])=O)nn2-c(cc3)ccc3Cl)[n+]2[O-])c1

InChI

InChI=1S/C17H16ClN5O3/c1-12-3-2-4-13(11-12)9-10-19-16-17(23(25)26)20-21(22(16)24)15-7-5-14(18)6-8-15/h2-8,11,19H,9-10H2,1H3

InChI Key

LKBWGIUMMSGPOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.8

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

4.108

Distribution Coefficient, logD

4.108

Water Solubility, LogSw

-4.45

Polar Surface Area

77.247

Acid Dissociation Constant (pKa)

14.65

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with C301-0671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0671?
Check Price and Availability of C301-0671, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C301-0671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0671
  • 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 C301-0671 available by request