1682-4369 Screening compound: methyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate

1682-4369 Screening compound: methyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate
1682-4369 Screening compound: methyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-4369
methyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate

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

1682-4369

Molecular Formula

C6H7N3O4S (C6 H7 N3 O4 S)

Compound Name

methyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate

IUPAC name

methyl 2-[(35-dioxo-2345-tetrahydro-124-triazin-6-yl)sulfanyl]acetate

SMILES

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

InChI

InChI=1S/C6H7N3O4S/c1-13-3(10)2-14-5-4(11)7-6(12)9-8-5/h2H2,1H3,(H2,7,9,11,12)

InChI Key

VRFCSDSVVDDINV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00522564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

217.21

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.878

Distribution Coefficient, logD

-0.905

Water Solubility, LogSw

-1.35

Polar Surface Area

81.905

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

1682-4369 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Frequent Hitters Library (7624 compounds)

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:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
  • Agro
Structure:
  • Pool
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1682-4369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-4369?
Check Price and Availability of 1682-4369, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1682-4369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-4369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-4369
  • 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 1682-4369 available by request