1988-0344 Screening compound: 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]propanehydrazide

1988-0344 Screening compound: 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]propanehydrazide
1988-0344 Screening compound: 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]propanehydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-0344
3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)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

1988-0344

Molecular Formula

C14H15N5O5 (C14 H15 N5 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(/C=N/NC(CCC(C(N1)=O)=NNC1=O)=O)cc1)c1O

InChI

InChI=1S/C14H15N5O5/c1-24-11-6-8(2-4-10(11)20)7-15-18-12(21)5-3-9-13(22)16-14(23)19-17-9/h2,4,6-7,20H,3,5H2,1H3,(H,18,21)(H2,16,19,22,23)

InChI Key

HXKLAKKDUJHGNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01182025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.3

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.445

Distribution Coefficient, logD

-0.471

Water Solubility, LogSw

-1.91

Polar Surface Area

120.091

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

1988-0344 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 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 1988-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1988-0344?
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What is the minimum amount of 1988-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-0344
  • 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 1988-0344 available by request