1988-0398 Screening compound: 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]-N'-[(E)-(pyridin-3-yl)methylidene]acetohydrazide

1988-0398 Screening compound: 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]-N'-[(E)-(pyridin-3-yl)methylidene]acetohydrazide
1988-0398 Screening compound: 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]-N'-[(E)-(pyridin-3-yl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-0398
2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]-N'-[(E)-(pyridin-3-yl)methylidene]acetohydrazide

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

1988-0398

Molecular Formula

C11H11N7O3 (C11 H11 N7 O3)

Compound Name

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

IUPAC name

2-[(35-dioxo-2345-tetrahydro-124-triazin-6-yl)amino]-N'-[(E)-(pyridin-3-yl)methylidene]acetohydrazide

SMILES

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

InChI

InChI=1S/C11H11N7O3/c19-8(16-14-5-7-2-1-3-12-4-7)6-13-9-10(20)15-11(21)18-17-9/h1-5H,6H2,(H,13,17)(H,16,19)(H2,15,18,20,21)

InChI Key

FXXOWYCAHJYMAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01182078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.25

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-1.147

Distribution Coefficient, logD

-2.326

Water Solubility, LogSw

-0.98

Polar Surface Area

117.605

Acid Dissociation Constant (pKa)

6.25

Base Dissociation Constant (pKb)

2.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

1988-0398 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 1988-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1988-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-0398
  • 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 1988-0398 available by request