1759-0012 Screening compound: 1-(2-chloro-10H-phenothiazin-10-yl)-3-{octahydropyrrolo[1,2-a]pyrazin-2-yl}propan-1-one

1759-0012 Screening compound: 1-(2-chloro-10H-phenothiazin-10-yl)-3-{octahydropyrrolo[1,2-a]pyrazin-2-yl}propan-1-one
1759-0012 Screening compound: 1-(2-chloro-10H-phenothiazin-10-yl)-3-{octahydropyrrolo[1,2-a]pyrazin-2-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1759-0012
1-(2-chloro-10H-phenothiazin-10-yl)-3-{octahydropyrrolo[1,2-a]pyrazin-2-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

1759-0012

Molecular Formula

C22H24ClN3OS (C22 H24 ClN3 OS)

Compound Name

1-(2-chloro-10H-phenothiazin-10-yl)-3-{octahydropyrrolo[1,2-a]pyrazin-2-yl}propan-1-one

IUPAC name

1-(2-chloro-10H-phenothiazin-10-yl)-3-{octahydropyrrolo[12-a]pyrazin-2-yl}propan-1-one

SMILES

O=C(CCN1CC(CCC2)N2CC1)N1c(cc(cc2)Cl)c2Sc2c1cccc2

InChI

InChI=1S/C22H24ClN3OS/c23-16-7-8-21-19(14-16)26(18-5-1-2-6-20(18)28-21)22(27)9-11-24-12-13-25-10-3-4-17(25)15-24/h1-2,5-8,14,17H,3-4,9-13,15H2/t17-/m0/s1

InChI Key

ZQTOZLYOIRKCPL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00343899

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

413.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.886

Distribution Coefficient, logD

3.635

Water Solubility, LogSw

-4.30

Polar Surface Area

20.959

Acid Dissociation Constant (pKa)

20.59

Base Dissociation Constant (pKb)

7.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

1759-0012 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

DGK Inhibitors Library (10558 compounds)

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

Nucleic Acid Ligands (8311 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1759-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1759-0012?
Check Price and Availability of 1759-0012, 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 1759-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1759-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1759-0012
  • 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 1759-0012 available by request