C102-0064 Screening compound: 6-benzyl-3-[(2,4,6-trimethylphenyl)amino]-4,5-dihydro-1,2,4-triazin-5-one

C102-0064 Screening compound: 6-benzyl-3-[(2,4,6-trimethylphenyl)amino]-4,5-dihydro-1,2,4-triazin-5-one
C102-0064 Screening compound: 6-benzyl-3-[(2,4,6-trimethylphenyl)amino]-4,5-dihydro-1,2,4-triazin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C102-0064
6-benzyl-3-[(2,4,6-trimethylphenyl)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

C102-0064

Molecular Formula

C19H20N4O (C19 H20 N4 O)

Compound Name

6-benzyl-3-[(2,4,6-trimethylphenyl)amino]-4,5-dihydro-1,2,4-triazin-5-one

IUPAC name

6-benzyl-3-[(246-trimethylphenyl)amino]-45-dihydro-124-triazin-5-one

SMILES

Cc(cc1C)cc(C)c1NC(N1)=NN=C(Cc2ccccc2)C1=O

InChI

InChI=1S/C19H20N4O/c1-12-9-13(2)17(14(3)10-12)20-19-21-18(24)16(22-23-19)11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H2,20,21,23,24)

InChI Key

DMHKQKRXPRCDKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03492519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.854

Distribution Coefficient, logD

3.852

Water Solubility, LogSw

-3.96

Polar Surface Area

53.360

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

C102-0064 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C102-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C102-0064?
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What is the minimum amount of C102-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C102-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C102-0064
  • 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 C102-0064 available by request