2159-4135 Screening compound: 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]-N'-[(E)-(4-hydroxyphenyl)methylidene]acetohydrazide

2159-4135 Screening compound: 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]-N'-[(E)-(4-hydroxyphenyl)methylidene]acetohydrazide
2159-4135 Screening compound: 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]-N'-[(E)-(4-hydroxyphenyl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2159-4135
2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]-N'-[(E)-(4-hydroxyphenyl)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

2159-4135

Molecular Formula

C12H11N5O4S (C12 H11 N5 O4 S)

Compound Name

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

IUPAC name

2-[(35-dioxo-2345-tetrahydro-124-triazin-6-yl)sulfanyl]-N'-[(E)-(4-hydroxyphenyl)methylidene]acetohydrazide

SMILES

Oc1ccc(/C=N/NC(CSC(C(N2)=O)=NNC2=O)=O)cc1

InChI

InChI=1S/C12H11N5O4S/c18-8-3-1-7(2-4-8)5-13-15-9(19)6-22-11-10(20)14-12(21)17-16-11/h1-5,18H,6H2,(H,15,19)(H2,14,17,20,21)

InChI Key

WKCYVYOPIABQOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01184949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.32

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.293

Distribution Coefficient, logD

-0.320

Water Solubility, LogSw

-2.04

Polar Surface Area

114.045

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

2159-4135 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 2159-4135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2159-4135?
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What is the minimum amount of 2159-4135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2159-4135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2159-4135
  • 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 2159-4135 available by request