2159-4220 Screening compound: N'-[(E)-(cyclohex-3-en-1-yl)methylidene]-2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanehydrazide

2159-4220 Screening compound: N'-[(E)-(cyclohex-3-en-1-yl)methylidene]-2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanehydrazide
2159-4220 Screening compound: N'-[(E)-(cyclohex-3-en-1-yl)methylidene]-2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanehydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2159-4220
N'-[(E)-(cyclohex-3-en-1-yl)methylidene]-2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanehydrazide

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

2159-4220

Molecular Formula

C13H18N6O3 (C13 H18 N6 O3)

Compound Name

N'-[(E)-(cyclohex-3-en-1-yl)methylidene]-2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanehydrazide

IUPAC name

N'-[(E)-(cyclohex-3-en-1-yl)methylidene]-2-[(35-dioxo-2345-tetrahydro-124-triazin-6-yl)amino]propanehydrazide

SMILES

CC(C(N/N=C/C1CC=CCC1)=O)NC(C(N1)=O)=NNC1=O

InChI

InChI=1S/C13H18N6O3/c1-8(15-10-12(21)16-13(22)19-17-10)11(20)18-14-7-9-5-3-2-4-6-9/h2-3,7-9H,4-6H2,1H3,(H,15,17)(H,18,20)(H2,16,19,21,22)

InChI Key

JIGNXVYXQPZQPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01185034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.318

Distribution Coefficient, logD

-0.841

Water Solubility, LogSw

-1.63

Polar Surface Area

107.655

Acid Dissociation Constant (pKa)

6.27

Base Dissociation Constant (pKb)

3.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.20

2159-4220 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2159-4220 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2159-4220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2159-4220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2159-4220
  • 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 2159-4220 available by request