1682-3376 Screening compound: butyl 2-[(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]acetate

1682-3376 Screening compound: butyl 2-[(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]acetate
1682-3376 Screening compound: butyl 2-[(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-3376
butyl 2-[(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]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

1682-3376

Molecular Formula

C9H14N4O3S (C9 H14 N4 O3 S)

Compound Name

butyl 2-[(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]acetate

IUPAC name

butyl 2-[(5-oxo-3-sulfanylidene-2345-tetrahydro-124-triazin-6-yl)amino]acetate

SMILES

CCCCOC(CNC(C(N1)=O)=NNC1=S)=O

InChI

InChI=1S/C9H14N4O3S/c1-2-3-4-16-6(14)5-10-7-8(15)11-9(17)13-12-7/h2-5H2,1H3,(H,10,12)(H2,11,13,15,17)

InChI Key

UWOCUWLSBMSEME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00183302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.802

Distribution Coefficient, logD

-0.502

Water Solubility, LogSw

-1.79

Polar Surface Area

80.420

Acid Dissociation Constant (pKa)

6.12

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

1682-3376 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1682-3376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-3376?
Check Price and Availability of 1682-3376, 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 1682-3376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-3376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-3376
  • 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 1682-3376 available by request