3022-0035 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

3022-0035 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
3022-0035 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3022-0035
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)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

3022-0035

Molecular Formula

C7H8N6OS2 (C7 H8 N6 OS2)

Compound Name

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

IUPAC name

N-(5-methyl-134-thiadiazol-2-yl)-2-(1H-124-triazol-5-ylsulfanyl)acetamide

SMILES

Cc1nnc(NC(CSc2ncn[nH]2)=O)s1

InChI

InChI=1S/C7H8N6OS2/c1-4-11-13-7(16-4)10-5(14)2-15-6-8-3-9-12-6/h3H,2H2,1H3,(H,8,9,12)(H,10,13,14)

InChI Key

WISHRUXMKQWLGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01240234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.107

Distribution Coefficient, logD

-0.103

Water Solubility, LogSw

-2.12

Polar Surface Area

80.893

Acid Dissociation Constant (pKa)

7.61

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

3022-0035 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Arginase Targeted Library (2009 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Soluble Diversity Library (15920 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3022-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3022-0035?
Check Price and Availability of 3022-0035, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3022-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3022-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3022-0035
  • 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 3022-0035 available by request