2159-4180 Screening compound: N'-[(E)-[4-(dimethylamino)phenyl]methylidene]-2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanehydrazide

2159-4180 Screening compound: N'-[(E)-[4-(dimethylamino)phenyl]methylidene]-2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanehydrazide
2159-4180 Screening compound: N'-[(E)-[4-(dimethylamino)phenyl]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 2159-4180
N'-[(E)-[4-(dimethylamino)phenyl]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

2159-4180

Molecular Formula

C15H19N7O3 (C15 H19 N7 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C(N/N=C/c(cc1)ccc1N(C)C)=O)NC(C(N1)=O)=NNC1=O

InChI

InChI=1S/C15H19N7O3/c1-9(17-12-14(24)18-15(25)21-19-12)13(23)20-16-8-10-4-6-11(7-5-10)22(2)3/h4-9H,1-3H3,(H,17,19)(H,20,23)(H2,18,21,24,25)/t9-/m0/s1

InChI Key

NPJKBKHCFRSBCY-VIFPVBQESA-N

MDL Number (MFCD)

MFCD01184994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.237

Distribution Coefficient, logD

-0.923

Water Solubility, LogSw

-1.99

Polar Surface Area

110.268

Acid Dissociation Constant (pKa)

6.27

Base Dissociation Constant (pKb)

8.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

2159-4180 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 2159-4180 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2159-4180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2159-4180
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2159-4180
  • 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 2159-4180 available by request