2159-4184 Screening compound: 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]-N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]propanehydrazide

2159-4184 Screening compound: 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]-N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]propanehydrazide
2159-4184 Screening compound: 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]-N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]propanehydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2159-4184
2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]-N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)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

2159-4184

Molecular Formula

C15H18N6O6 (C15 H18 N6 O6)

Compound Name

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

IUPAC name

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

SMILES

CC(C(N/N=C/c(cc1OC)cc(OC)c1O)=O)NC(C(N1)=O)=NNC1=O

InChI

InChI=1S/C15H18N6O6/c1-7(17-12-14(24)18-15(25)21-19-12)13(23)20-16-6-8-4-9(26-2)11(22)10(5-8)27-3/h4-7,22H,1-3H3,(H,17,19)(H,20,23)(H2,18,21,24,25)/t7-/m0/s1

InChI Key

IJUWYBUMQFANKO-ZETCQYMHSA-N

MDL Number (MFCD)

MFCD01184998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.34

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

-0.673

Distribution Coefficient, logD

-1.833

Water Solubility, LogSw

-1.76

Polar Surface Area

138.203

Acid Dissociation Constant (pKa)

6.27

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

2159-4184 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 2159-4184 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2159-4184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2159-4184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2159-4184
  • 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 2159-4184 available by request