C301-8794 Screening compound: 3-(benzylsulfanyl)-1,2,4-thiadiazol-5-amine

C301-8794 Screening compound: 3-(benzylsulfanyl)-1,2,4-thiadiazol-5-amine
C301-8794 Screening compound: 3-(benzylsulfanyl)-1,2,4-thiadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8794
3-(benzylsulfanyl)-1,2,4-thiadiazol-5-amine

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

C301-8794

Molecular Formula

C9H9N3S2 (C9 H9 N3 S2)

Compound Name

3-(benzylsulfanyl)-1,2,4-thiadiazol-5-amine

IUPAC name

3-(benzylsulfanyl)-124-thiadiazol-5-amine

SMILES

Nc1nc(SCc2ccccc2)ns1

InChI

InChI=1S/C9H9N3S2/c10-8-11-9(12-14-8)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11,12)

InChI Key

UOIUWIYFNWLYPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00649535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

223.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.294

Distribution Coefficient, logD

2.294

Water Solubility, LogSw

-2.39

Polar Surface Area

40.305

Acid Dissociation Constant (pKa)

19.56

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C301-8794 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Cardiovascular Library (22201 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-8794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8794?
Check Price and Availability of C301-8794, 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 C301-8794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8794
  • 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 C301-8794 available by request