8012-5819 Screening compound: 2-chloro-1-(2-chloro-10H-phenothiazin-10-yl)ethan-1-one

8012-5819 Screening compound: 2-chloro-1-(2-chloro-10H-phenothiazin-10-yl)ethan-1-one
8012-5819 Screening compound: 2-chloro-1-(2-chloro-10H-phenothiazin-10-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5819
2-chloro-1-(2-chloro-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

8012-5819

Molecular Formula

C14H9Cl2NOS (C14 H9 Cl2 NOS)

Compound Name

2-chloro-1-(2-chloro-10H-phenothiazin-10-yl)ethan-1-one

IUPAC name

2-chloro-1-(2-chloro-10H-phenothiazin-10-yl)ethan-1-one

SMILES

O=C(CCl)N1c(cc(cc2)Cl)c2Sc2c1cccc2

InChI

InChI=1S/C14H9Cl2NOS/c15-8-14(18)17-10-3-1-2-4-12(10)19-13-6-5-9(16)7-11(13)17/h1-7H,8H2

InChI Key

FXCKKLUGQMWBDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02087295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.2

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.981

Distribution Coefficient, logD

3.981

Water Solubility, LogSw

-4.34

Polar Surface Area

13.614

Acid Dissociation Constant (pKa)

18.42

Base Dissociation Constant (pKb)

-6.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

8012-5819 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Nucleic Acid Ligands (8311 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8012-5819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5819?
Check Price and Availability of 8012-5819, 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 8012-5819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5819
  • 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 8012-5819 available by request