S008-0096 Screening compound: 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propan-1-one

S008-0096 Screening compound: 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propan-1-one
S008-0096 Screening compound: 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S008-0096
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propan-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

S008-0096

Molecular Formula

C22H24F3N3O2S (C22 H24 F3 N3 O2 S)

Compound Name

3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propan-1-one

IUPAC name

3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propan-1-one

SMILES

OCCN1CCN(CCC(N2c(cc(C(F)(F)F)cc3)c3Sc3c2cccc3)=O)CC1

InChI

InChI=1S/C22H24F3N3O2S/c23-22(24,25)16-5-6-20-18(15-16)28(17-3-1-2-4-19(17)31-20)21(30)7-8-26-9-11-27(12-10-26)13-14-29/h1-6,15,29H,7-14H2

InChI Key

KRMKBOUUDPUIDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00868436

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

451.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.107

Distribution Coefficient, logD

2.911

Water Solubility, LogSw

-3.53

Polar Surface Area

37.771

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

7.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

S008-0096 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

DGK Inhibitors Library (10558 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Nucleic Acid Ligands (8311 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
Structure:
  • Pool

References: we are preparing a list of scientific research reports with S008-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S008-0096?
Check Price and Availability of S008-0096, 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 S008-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S008-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S008-0096
  • 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 S008-0096 available by request