2159-4140 Screening compound: 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]-N'-[(E)-(2-ethoxyphenyl)methylidene]acetohydrazide

2159-4140 Screening compound: 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]-N'-[(E)-(2-ethoxyphenyl)methylidene]acetohydrazide
2159-4140 Screening compound: 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]-N'-[(E)-(2-ethoxyphenyl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2159-4140
2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]-N'-[(E)-(2-ethoxyphenyl)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

2159-4140

Molecular Formula

C14H15N5O4S (C14 H15 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1c(/C=N/NC(CSC(C(N2)=O)=NNC2=O)=O)cccc1

InChI

InChI=1S/C14H15N5O4S/c1-2-23-10-6-4-3-5-9(10)7-15-17-11(20)8-24-13-12(21)16-14(22)19-18-13/h3-7H,2,8H2,1H3,(H,17,20)(H2,16,19,21,22)

InChI Key

UMIYKWMYQKSSGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01184954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.144

Distribution Coefficient, logD

1.117

Water Solubility, LogSw

-2.35

Polar Surface Area

103.638

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

2159-4140 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 2159-4140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2159-4140?
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What is the minimum amount of 2159-4140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2159-4140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2159-4140
  • 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 2159-4140 available by request