1988-0746 Screening compound: methyl 2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate

1988-0746 Screening compound: methyl 2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate
1988-0746 Screening compound: methyl 2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-0746
methyl 2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-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

1988-0746

Molecular Formula

C7H9N3O3S (C7 H9 N3 O3 S)

Compound Name

methyl 2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate

IUPAC name

methyl 2-[(6-methyl-5-oxo-45-dihydro-124-triazin-3-yl)sulfanyl]acetate

SMILES

CC(C(N1)=O)=NN=C1SCC(OC)=O

InChI

InChI=1S/C7H9N3O3S/c1-4-6(12)8-7(10-9-4)14-3-5(11)13-2/h3H2,1-2H3,(H,8,10,12)

InChI Key

OXYFBSBUJKLAPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00847170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

215.23

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.188

Distribution Coefficient, logD

0.107

Water Solubility, LogSw

-1.77

Polar Surface Area

65.091

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

1988-0746 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Dark Chemical Matter Library (18430 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Proteases
  • Kinases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1988-0746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1988-0746?
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What is the minimum amount of 1988-0746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-0746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-0746
  • 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 1988-0746 available by request