3948-0328 Screening compound: 2-[(4-chlorophenyl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethan-1-one

3948-0328 Screening compound: 2-[(4-chlorophenyl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethan-1-one
3948-0328 Screening compound: 2-[(4-chlorophenyl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3948-0328
2-[(4-chlorophenyl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethan-1-one

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

3948-0328

Molecular Formula

C20H14ClNOS2 (C20 H14 ClNOS2)

Compound Name

2-[(4-chlorophenyl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethan-1-one

IUPAC name

2-[(4-chlorophenyl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethan-1-one

SMILES

O=C(CSc(cc1)ccc1Cl)N1c(cccc2)c2Sc2c1cccc2

InChI

InChI=1S/C20H14ClNOS2/c21-14-9-11-15(12-10-14)24-13-20(23)22-16-5-1-3-7-18(16)25-19-8-4-2-6-17(19)22/h1-12H,13H2

InChI Key

YBHJZOUZDMVGGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02752980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.669

Distribution Coefficient, logD

5.669

Water Solubility, LogSw

-5.95

Polar Surface Area

13.342

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

-3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

3948-0328 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3948-0328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3948-0328?
Check Price and Availability of 3948-0328, 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 3948-0328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3948-0328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3948-0328
  • 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 3948-0328 available by request