6388-0023 Screening compound: 6-(prop-2-en-1-ylsulfanyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

6388-0023 Screening compound: 6-(prop-2-en-1-ylsulfanyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione
6388-0023 Screening compound: 6-(prop-2-en-1-ylsulfanyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6388-0023
6-(prop-2-en-1-ylsulfanyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

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

6388-0023

Molecular Formula

C6H7N3O2S (C6 H7 N3 O2 S)

Compound Name

6-(prop-2-en-1-ylsulfanyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

IUPAC name

6-(prop-2-en-1-ylsulfanyl)-2345-tetrahydro-124-triazine-35-dione

SMILES

C=CCSC(C(N1)=O)=NNC1=O

InChI

InChI=1S/C6H7N3O2S/c1-2-3-12-5-4(10)7-6(11)9-8-5/h2H,1,3H2,(H2,7,9,10,11)

InChI Key

GQRGHKDRHYUZMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00226408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

185.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.308

Distribution Coefficient, logD

0.260

Water Solubility, LogSw

-2.01

Polar Surface Area

61.326

Acid Dissociation Constant (pKa)

8.32

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

6388-0023 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Fragments Library (11262 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6388-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6388-0023?
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What is the minimum amount of 6388-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6388-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6388-0023
  • 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 6388-0023 available by request