8008-4819 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

8008-4819 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
8008-4819 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4819
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]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

8008-4819

Molecular Formula

C9H12N6OS2 (C9 H12 N6 OS2)

Compound Name

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

IUPAC name

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

SMILES

CCc1nnc(NC(CSc2nnc(C)[nH]2)=O)s1

InChI

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

InChI Key

FMDAYVOFVZTYJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305026

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

0.681

Distribution Coefficient, logD

0.262

Water Solubility, LogSw

-1.62

Polar Surface Area

79.548

Acid Dissociation Constant (pKa)

8.74

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

8008-4819 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
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 8008-4819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4819?
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What is the minimum amount of 8008-4819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4819
  • 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 8008-4819 available by request