8012-5820 Screening compound: 2-chloro-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethan-1-one

8012-5820 Screening compound: 2-chloro-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethan-1-one
8012-5820 Screening compound: 2-chloro-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5820
2-chloro-1-[2-(trifluoromethyl)-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

8012-5820

Molecular Formula

C15H9ClF3NOS (C15 H9 ClF3 NOS)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C15H9ClF3NOS/c16-8-14(21)20-10-3-1-2-4-12(10)22-13-6-5-9(7-11(13)20)15(17,18)19/h1-7H,8H2

InChI Key

NAQGVVKCOQMRPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00388283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.76

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.235

Distribution Coefficient, logD

4.235

Water Solubility, LogSw

-4.38

Polar Surface Area

13.614

Acid Dissociation Constant (pKa)

18.81

Base Dissociation Constant (pKb)

-6.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

8012-5820 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CORONAVIRUS Library (20774 compounds)

Nucleic Acid Ligands (8311 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • 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 8012-5820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5820?
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What is the minimum amount of 8012-5820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5820
  • 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 8012-5820 available by request