1682-3118 Screening compound: 6-[(2-oxopropyl)sulfanyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

1682-3118 Screening compound: 6-[(2-oxopropyl)sulfanyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione
1682-3118 Screening compound: 6-[(2-oxopropyl)sulfanyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-3118
6-[(2-oxopropyl)sulfanyl]-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

1682-3118

Molecular Formula

C6H7N3O3S (C6 H7 N3 O3 S)

Compound Name

6-[(2-oxopropyl)sulfanyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

IUPAC name

6-[(2-oxopropyl)sulfanyl]-2345-tetrahydro-124-triazine-35-dione

SMILES

CC(CSC(C(N1)=O)=NNC1=O)=O

InChI

InChI=1S/C6H7N3O3S/c1-3(10)2-13-5-4(11)7-6(12)9-8-5/h2H2,1H3,(H2,7,9,11,12)

InChI Key

FSHYCQPQTIYNBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00546583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

201.21

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.818

Distribution Coefficient, logD

-0.845

Water Solubility, LogSw

-1.37

Polar Surface Area

74.661

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

1682-3118 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1682-3118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-3118?
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What is the minimum amount of 1682-3118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-3118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-3118
  • 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 1682-3118 available by request