1988-0363 Screening compound: 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(E)-(pyridin-4-yl)methylidene]propanehydrazide

1988-0363 Screening compound: 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(E)-(pyridin-4-yl)methylidene]propanehydrazide
1988-0363 Screening compound: 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(E)-(pyridin-4-yl)methylidene]propanehydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-0363
3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(E)-(pyridin-4-yl)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

1988-0363

Molecular Formula

C12H12N6O3 (C12 H12 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCC(C(N1)=O)=NNC1=O)N/N=C/c1ccncc1

InChI

InChI=1S/C12H12N6O3/c19-10(17-14-7-8-3-5-13-6-4-8)2-1-9-11(20)15-12(21)18-16-9/h3-7H,1-2H2,(H,17,19)(H2,15,18,20,21)

InChI Key

ZEWMHWLZIPKSRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01182044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.27

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.951

Distribution Coefficient, logD

-0.978

Water Solubility, LogSw

-1.13

Polar Surface Area

105.340

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

1988-0363 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1988-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1988-0363?
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What is the minimum amount of 1988-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-0363
  • 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 1988-0363 available by request