6218-0003 Screening compound: 2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

6218-0003 Screening compound: 2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
6218-0003 Screening compound: 2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6218-0003
2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

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

6218-0003

Molecular Formula

C9H12N6OS2 (C9 H12 N6 OS2)

Compound Name

2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

IUPAC name

2-[(5-ethyl-4H-124-triazol-3-yl)sulfanyl]-N-(5-methyl-134-thiadiazol-2-yl)acetamide

SMILES

CCc([nH]1)nnc1SCC(Nc1nnc(C)s1)=O

InChI

InChI=1S/C9H12N6OS2/c1-3-6-10-8(14-13-6)17-4-7(16)11-9-15-12-5(2)18-9/h3-4H2,1-2H3,(H,10,13,14)(H,11,15,16)

InChI Key

FHAFNDJVNMYNTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02243713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.429

Distribution Coefficient, logD

0.099

Water Solubility, LogSw

-1.64

Polar Surface Area

80.237

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

6218-0003 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Proteases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6218-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6218-0003?
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What is the minimum amount of 6218-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6218-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6218-0003
  • 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 6218-0003 available by request