C102-0198 Screening compound: 6-tert-butyl-3-[(2,6-dimethylphenyl)amino]-4,5-dihydro-1,2,4-triazin-5-one

C102-0198 Screening compound: 6-tert-butyl-3-[(2,6-dimethylphenyl)amino]-4,5-dihydro-1,2,4-triazin-5-one
C102-0198 Screening compound: 6-tert-butyl-3-[(2,6-dimethylphenyl)amino]-4,5-dihydro-1,2,4-triazin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C102-0198
6-tert-butyl-3-[(2,6-dimethylphenyl)amino]-4,5-dihydro-1,2,4-triazin-5-one

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

C102-0198

Molecular Formula

C15H20N4O (C15 H20 N4 O)

Compound Name

6-tert-butyl-3-[(2,6-dimethylphenyl)amino]-4,5-dihydro-1,2,4-triazin-5-one

IUPAC name

6-tert-butyl-3-[(26-dimethylphenyl)amino]-45-dihydro-124-triazin-5-one

SMILES

CC(C)(C)C1=NN=C(Nc2c(C)cccc2C)NC1=O

InChI

InChI=1S/C15H20N4O/c1-9-7-6-8-10(2)11(9)16-14-17-13(20)12(18-19-14)15(3,4)5/h6-8H,1-5H3,(H2,16,17,19,20)

InChI Key

MUWUQYVSUXREMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03492613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.431

Distribution Coefficient, logD

3.430

Water Solubility, LogSw

-3.44

Polar Surface Area

53.728

Acid Dissociation Constant (pKa)

10.05

Base Dissociation Constant (pKb)

3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C102-0198 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Fragments Library (11262 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Structure:
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C102-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C102-0198?
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What is the minimum amount of C102-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C102-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C102-0198
  • 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 C102-0198 available by request