1682-3125 Screening compound: ethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate

1682-3125 Screening compound: ethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate
1682-3125 Screening compound: ethyl 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 1682-3125
ethyl 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

1682-3125

Molecular Formula

C7H9N3O4S (C7 H9 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C7H9N3O4S/c1-2-14-4(11)3-15-6-5(12)8-7(13)10-9-6/h2-3H2,1H3,(H2,8,10,12,13)

InChI Key

BUVGJDRHELKVON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00196566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

231.23

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.286

Distribution Coefficient, logD

-0.314

Water Solubility, LogSw

-1.46

Polar Surface Area

81.484

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

1682-3125 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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 1682-3125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-3125?
Check Price and Availability of 1682-3125, 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 1682-3125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-3125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-3125
  • 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 1682-3125 available by request