C102-0191 Screening compound: 6-tert-butyl-3-[(2,5-dichlorophenyl)amino]-4,5-dihydro-1,2,4-triazin-5-one

C102-0191 Screening compound: 6-tert-butyl-3-[(2,5-dichlorophenyl)amino]-4,5-dihydro-1,2,4-triazin-5-one
C102-0191 Screening compound: 6-tert-butyl-3-[(2,5-dichlorophenyl)amino]-4,5-dihydro-1,2,4-triazin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C102-0191
6-tert-butyl-3-[(2,5-dichlorophenyl)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

C102-0191

Molecular Formula

C13H14Cl2N4O (C13 H14 Cl2 N4 O)

Compound Name

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

IUPAC name

6-tert-butyl-3-[(25-dichlorophenyl)amino]-45-dihydro-124-triazin-5-one

SMILES

CC(C)(C)C1=NN=C(Nc(cc(cc2)Cl)c2Cl)NC1=O

InChI

InChI=1S/C13H14Cl2N4O/c1-13(2,3)10-11(20)17-12(19-18-10)16-9-6-7(14)4-5-8(9)15/h4-6H,1-3H3,(H2,16,17,19,20)

InChI Key

ZPZZUHHTZCIXLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03492606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.19

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

4.266

Distribution Coefficient, logD

3.856

Water Solubility, LogSw

-4.47

Polar Surface Area

54.426

Acid Dissociation Constant (pKa)

7.20

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C102-0191 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

KRAS-Targeted Library (16000 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C102-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C102-0191?
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What is the minimum amount of C102-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C102-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C102-0191
  • 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 C102-0191 available by request