1683-2869 Screening compound: 6-(hexylsulfanyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

1683-2869 Screening compound: 6-(hexylsulfanyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione
1683-2869 Screening compound: 6-(hexylsulfanyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-2869
6-(hexylsulfanyl)-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

1683-2869

Molecular Formula

C9H15N3O2S (C9 H15 N3 O2 S)

Compound Name

6-(hexylsulfanyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

IUPAC name

6-(hexylsulfanyl)-2345-tetrahydro-124-triazine-35-dione

SMILES

CCCCCCSC(C(N1)=O)=NNC1=O

InChI

InChI=1S/C9H15N3O2S/c1-2-3-4-5-6-15-8-7(13)10-9(14)12-11-8/h2-6H2,1H3,(H2,10,12,13,14)

InChI Key

ZFPJRLCQXKEIDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00226407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

229.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.187

Distribution Coefficient, logD

2.141

Water Solubility, LogSw

-2.47

Polar Surface Area

61.326

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

1683-2869 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1683-2869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-2869?
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What is the minimum amount of 1683-2869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-2869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-2869
  • 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 1683-2869 available by request