1682-3378 Screening compound: benzyl 2-[(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]acetate

1682-3378 Screening compound: benzyl 2-[(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]acetate
1682-3378 Screening compound: benzyl 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 1682-3378
benzyl 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

1682-3378

Molecular Formula

C12H12N4O3S (C12 H12 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CNC(C(N1)=O)=NNC1=S)OCc1ccccc1

InChI

InChI=1S/C12H12N4O3S/c17-9(19-7-8-4-2-1-3-5-8)6-13-10-11(18)14-12(20)16-15-10/h1-5H,6-7H2,(H,13,15)(H2,14,16,18,20)

InChI Key

WMSNTBKZKIFHHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00589505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.199

Distribution Coefficient, logD

-0.105

Water Solubility, LogSw

-2.04

Polar Surface Area

80.230

Acid Dissociation Constant (pKa)

6.12

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

1682-3378 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 1682-3378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-3378?
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What is the minimum amount of 1682-3378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-3378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-3378
  • 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 1682-3378 available by request