1683-2017 Screening compound: 3-[(2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-4,5-dihydro-1,2,4-triazin-5-one

1683-2017 Screening compound: 3-[(2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-4,5-dihydro-1,2,4-triazin-5-one
1683-2017 Screening compound: 3-[(2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-4,5-dihydro-1,2,4-triazin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-2017
3-[(2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-4,5-dihydro-1,2,4-triazin-5-one

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

1683-2017

Molecular Formula

C11H9N5O3 (C11 H9 N5 O3)

Compound Name

3-[(2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-4,5-dihydro-1,2,4-triazin-5-one

IUPAC name

3-[(2E)-2-[(2H-13-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-45-dihydro-124-triazin-5-one

SMILES

O=C1NC(N/N=C/c(cc2)cc3c2OCO3)=NN=C1

InChI

InChI=1S/C11H9N5O3/c17-10-5-13-16-11(14-10)15-12-4-7-1-2-8-9(3-7)19-6-18-8/h1-5H,6H2,(H2,14,15,16,17)

InChI Key

QBFITVUERQGGPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00711827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.243

Distribution Coefficient, logD

1.238

Water Solubility, LogSw

-2.17

Polar Surface Area

86.017

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

1683-2017 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 1683-2017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-2017?
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What is the minimum amount of 1683-2017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-2017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-2017
  • 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 1683-2017 available by request