2159-4209 Screening compound: 3-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]-N'-[(E)-(pyridin-3-yl)methylidene]propanehydrazide

2159-4209 Screening compound: 3-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]-N'-[(E)-(pyridin-3-yl)methylidene]propanehydrazide
2159-4209 Screening compound: 3-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]-N'-[(E)-(pyridin-3-yl)methylidene]propanehydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2159-4209
3-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]-N'-[(E)-(pyridin-3-yl)methylidene]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

2159-4209

Molecular Formula

C12H13N7O3 (C12 H13 N7 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCNC(C(N1)=O)=NNC1=O)N/N=C/c1cnccc1

InChI

InChI=1S/C12H13N7O3/c20-9(17-15-7-8-2-1-4-13-6-8)3-5-14-10-11(21)16-12(22)19-18-10/h1-2,4,6-7H,3,5H2,(H,14,18)(H,17,20)(H2,16,19,21,22)

InChI Key

PCNVPYXJHIVHBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01185023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.28

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-1.364

Distribution Coefficient, logD

-3.027

Water Solubility, LogSw

-0.91

Polar Surface Area

117.446

Acid Dissociation Constant (pKa)

5.75

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

2159-4209 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 2159-4209 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2159-4209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2159-4209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2159-4209
  • 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 2159-4209 available by request