2856-0082 Screening compound: 1-(2-chloro-10H-phenothiazin-10-yl)-3-(dimethylamino)propan-1-one

2856-0082 Screening compound: 1-(2-chloro-10H-phenothiazin-10-yl)-3-(dimethylamino)propan-1-one
2856-0082 Screening compound: 1-(2-chloro-10H-phenothiazin-10-yl)-3-(dimethylamino)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2856-0082
1-(2-chloro-10H-phenothiazin-10-yl)-3-(dimethylamino)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

2856-0082

Molecular Formula

C17H17ClN2OS (C17 H17 ClN2 OS)

Compound Name

1-(2-chloro-10H-phenothiazin-10-yl)-3-(dimethylamino)propan-1-one

IUPAC name

1-(2-chloro-10H-phenothiazin-10-yl)-3-(dimethylamino)propan-1-one

SMILES

CN(C)CCC(N1c(cc(cc2)Cl)c2Sc2c1cccc2)=O

InChI

InChI=1S/C17H17ClN2OS/c1-19(2)10-9-17(21)20-13-5-3-4-6-15(13)22-16-8-7-12(18)11-14(16)20/h3-8,11H,9-10H2,1-2H3

InChI Key

ARHYCXNCAGKFGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01558091

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

332.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.771

Distribution Coefficient, logD

3.392

Water Solubility, LogSw

-4.23

Polar Surface Area

17.480

Acid Dissociation Constant (pKa)

19.98

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

2856-0082 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Nucleic Acid Ligands (8311 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 2856-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2856-0082?
Check Price and Availability of 2856-0082, 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 2856-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2856-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2856-0082
  • 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 2856-0082 available by request