C301-1298 Screening compound: 5-[(2-methoxyethyl)amino]-4-nitro-2-phenyl-2H-1,2,3-triazol-1-ium-1-olate

C301-1298 Screening compound: 5-[(2-methoxyethyl)amino]-4-nitro-2-phenyl-2H-1,2,3-triazol-1-ium-1-olate
C301-1298 Screening compound: 5-[(2-methoxyethyl)amino]-4-nitro-2-phenyl-2H-1,2,3-triazol-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-1298
5-[(2-methoxyethyl)amino]-4-nitro-2-phenyl-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

C301-1298

Molecular Formula

C11H13N5O4 (C11 H13 N5 O4)

Compound Name

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

IUPAC name

5-[(2-methoxyethyl)amino]-4-nitro-2-phenyl-2H-123-triazol-1-ium-1-olate

SMILES

COCCNc(c([N+]([O-])=O)nn1-c2ccccc2)[n+]1[O-]

InChI

InChI=1S/C11H13N5O4/c1-20-8-7-12-10-11(16(18)19)13-14(15(10)17)9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3

InChI Key

ANVBECSAMCOZRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06006667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.26

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

1.360

Distribution Coefficient, logD

1.360

Water Solubility, LogSw

-1.87

Polar Surface Area

85.861

Acid Dissociation Constant (pKa)

14.72

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with C301-1298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-1298?
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What is the minimum amount of C301-1298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-1298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-1298
  • 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 C301-1298 available by request