C301-9117 Screening compound: 3-{[(4-chlorophenyl)methyl]sulfanyl}-1,2,4-thiadiazol-5-amine

C301-9117 Screening compound: 3-{[(4-chlorophenyl)methyl]sulfanyl}-1,2,4-thiadiazol-5-amine
C301-9117 Screening compound: 3-{[(4-chlorophenyl)methyl]sulfanyl}-1,2,4-thiadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9117
3-{[(4-chlorophenyl)methyl]sulfanyl}-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

C301-9117

Molecular Formula

C9H8ClN3S2 (C9 H8 ClN3 S2)

Compound Name

3-{[(4-chlorophenyl)methyl]sulfanyl}-1,2,4-thiadiazol-5-amine

IUPAC name

3-{[(4-chlorophenyl)methyl]sulfanyl}-124-thiadiazol-5-amine

SMILES

Nc1nc(SCc(cc2)ccc2Cl)ns1

InChI

InChI=1S/C9H8ClN3S2/c10-7-3-1-6(2-4-7)5-14-9-12-8(11)15-13-9/h1-4H,5H2,(H2,11,12,13)

InChI Key

GEFZGDQTGXINOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03175101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.77

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

2.889

Distribution Coefficient, logD

2.889

Water Solubility, LogSw

-3.31

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

C301-9117 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 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
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Agro:
  • Agro
  • Agro
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-9117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9117?
Check Price and Availability of C301-9117, 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 C301-9117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9117
  • 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 C301-9117 available by request