2389-3044 Screening compound: 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(E)-(4-nitrophenyl)methylidene]propanehydrazide

2389-3044 Screening compound: 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(E)-(4-nitrophenyl)methylidene]propanehydrazide
2389-3044 Screening compound: 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(E)-(4-nitrophenyl)methylidene]propanehydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2389-3044
3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(E)-(4-nitrophenyl)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

2389-3044

Molecular Formula

C13H12N6O5 (C13 H12 N6 O5)

Compound Name

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

IUPAC name

3-(35-dioxo-2345-tetrahydro-124-triazin-6-yl)-N'-[(E)-(4-nitrophenyl)methylidene]propanehydrazide

SMILES

[O-][N+](c1ccc(/C=N/NC(CCC(C(N2)=O)=NNC2=O)=O)cc1)=O

InChI

InChI=1S/C13H12N6O5/c20-11(6-5-10-12(21)15-13(22)18-16-10)17-14-7-8-1-3-9(4-2-8)19(23)24/h1-4,7H,5-6H2,(H,17,20)(H2,15,18,21,22)

InChI Key

MWAGAVHQKDNNSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01325254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.28

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.132

Distribution Coefficient, logD

0.106

Water Solubility, LogSw

-2.17

Polar Surface Area

129.294

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

2389-3044 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 2389-3044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2389-3044?
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What is the minimum amount of 2389-3044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2389-3044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2389-3044
  • 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 2389-3044 available by request