4582-0184 Screening compound: [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl](10H-phenothiazin-10-yl)methanone

4582-0184 Screening compound: [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl](10H-phenothiazin-10-yl)methanone
4582-0184 Screening compound: [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl](10H-phenothiazin-10-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4582-0184
[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl](10H-phenothiazin-10-yl)methanone

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

4582-0184

Molecular Formula

C16H11N3OS3 (C16 H11 N3 OS3)

Compound Name

[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl](10H-phenothiazin-10-yl)methanone

IUPAC name

[(5-methyl-134-thiadiazol-2-yl)sulfanyl](10H-phenothiazin-10-yl)methanone

SMILES

Cc1nnc(SC(N2c(cccc3)c3Sc3c2cccc3)=O)s1

InChI

InChI=1S/C16H11N3OS3/c1-10-17-18-15(21-10)23-16(20)19-11-6-2-4-8-13(11)22-14-9-5-3-7-12(14)19/h2-9H,1H3

InChI Key

CCWBJWIPQQIPJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02738116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.459

Distribution Coefficient, logD

4.459

Water Solubility, LogSw

-4.31

Polar Surface Area

36.946

Acid Dissociation Constant (pKa)

30.70

Base Dissociation Constant (pKb)

-4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

4582-0184 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Nucleic Acid Ligands (8311 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with 4582-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4582-0184?
Check Price and Availability of 4582-0184, 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 4582-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4582-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4582-0184
  • 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 4582-0184 available by request