C360-0121 Screening compound: 5-[(2-methylcyclohexyl)amino]-2-(2-methylphenyl)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate

C360-0121 Screening compound: 5-[(2-methylcyclohexyl)amino]-2-(2-methylphenyl)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate
C360-0121 Screening compound: 5-[(2-methylcyclohexyl)amino]-2-(2-methylphenyl)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound C360-0121
5-[(2-methylcyclohexyl)amino]-2-(2-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

C360-0121

Molecular Formula

C16H21N5O3 (C16 H21 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(CCCC1)C1Nc(c([N+]([O-])=O)nn1-c2c(C)cccc2)[n+]1[O-]

InChI

InChI=1S/C16H21N5O3/c1-11-7-3-5-9-13(11)17-15-16(21(23)24)18-19(20(15)22)14-10-6-4-8-12(14)2/h4,6,8,10-11,13,17H,3,5,7,9H2,1-2H3

InChI Key

HPQIEZOQXDXJBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.782

Distribution Coefficient, logD

3.782

Water Solubility, LogSw

-3.90

Polar Surface Area

77.220

Acid Dissociation Constant (pKa)

16.87

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

C360-0121 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C360-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C360-0121?
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What is the minimum amount of C360-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C360-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C360-0121
  • 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 C360-0121 available by request