8013-2377 Screening compound: 4-amino-6-[(4-methoxyphenyl)methyl]-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-5-one

8013-2377 Screening compound: 4-amino-6-[(4-methoxyphenyl)methyl]-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-5-one
8013-2377 Screening compound: 4-amino-6-[(4-methoxyphenyl)methyl]-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2377
4-amino-6-[(4-methoxyphenyl)methyl]-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-5-one

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

8013-2377

Molecular Formula

C11H12N4O2S (C11 H12 N4 O2 S)

Compound Name

4-amino-6-[(4-methoxyphenyl)methyl]-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-5-one

IUPAC name

4-amino-6-[(4-methoxyphenyl)methyl]-3-sulfanylidene-2345-tetrahydro-124-triazin-5-one

SMILES

COc1ccc(CC(C(N2N)=O)=NNC2=S)cc1

InChI

InChI=1S/C11H12N4O2S/c1-17-8-4-2-7(3-5-8)6-9-10(16)15(12)11(18)14-13-9/h2-5H,6,12H2,1H3,(H,14,18)

InChI Key

QLZDNQGMVXBSOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03763913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.016

Distribution Coefficient, logD

0.998

Water Solubility, LogSw

-2.09

Polar Surface Area

63.056

Acid Dissociation Constant (pKa)

8.77

Base Dissociation Constant (pKb)

2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

8013-2377 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-2377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2377?
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What is the minimum amount of 8013-2377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2377
  • 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 8013-2377 available by request