2279-4346 Screening compound: 2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(E)-[4-(trifluoromethyl)phenyl]methylidene]acetohydrazide

2279-4346 Screening compound: 2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(E)-[4-(trifluoromethyl)phenyl]methylidene]acetohydrazide
2279-4346 Screening compound: 2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(E)-[4-(trifluoromethyl)phenyl]methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2279-4346
2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(E)-[4-(trifluoromethyl)phenyl]methylidene]acetohydrazide

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

2279-4346

Molecular Formula

C13H10F3N5O3 (C13 H10 F3 N5 O3)

Compound Name

2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(E)-[4-(trifluoromethyl)phenyl]methylidene]acetohydrazide

IUPAC name

2-(35-dioxo-2345-tetrahydro-124-triazin-6-yl)-N'-[(E)-[4-(trifluoromethyl)phenyl]methylidene]acetohydrazide

SMILES

O=C(CC(C(N1)=O)=NNC1=O)N/N=C/c1ccc(C(F)(F)F)cc1

InChI

InChI=1S/C13H10F3N5O3/c14-13(15,16)8-3-1-7(2-4-8)6-17-20-10(22)5-9-11(23)18-12(24)21-19-9/h1-4,6H,5H2,(H,20,22)(H2,18,21,23,24)

InChI Key

ACSFJECHCFUSEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01463110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.924

Distribution Coefficient, logD

0.912

Water Solubility, LogSw

-2.10

Polar Surface Area

95.912

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

2279-4346 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2279-4346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2279-4346?
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What is the minimum amount of 2279-4346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2279-4346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2279-4346
  • 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 2279-4346 available by request