3057-1566 Screening compound: 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetonitrile

3057-1566 Screening compound: 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetonitrile
3057-1566 Screening compound: 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3057-1566
2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetonitrile

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

3057-1566

Molecular Formula

C5H4N4O2S (C5 H4 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C5H4N4O2S/c6-1-2-12-4-3(10)7-5(11)9-8-4/h2H2,(H2,7,9,10,11)

InChI Key

SFIALOKEFSYKOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00708122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

184.18

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.909

Distribution Coefficient, logD

-0.957

Water Solubility, LogSw

-1.36

Polar Surface Area

78.818

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3057-1566 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 3057-1566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3057-1566?
Check Price and Availability of 3057-1566, 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 3057-1566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3057-1566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3057-1566
  • 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 3057-1566 available by request