4477-0943 Screening compound: 2-(1,3-benzothiazol-2-yloxy)-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethan-1-one

4477-0943 Screening compound: 2-(1,3-benzothiazol-2-yloxy)-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethan-1-one
4477-0943 Screening compound: 2-(1,3-benzothiazol-2-yloxy)-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-0943
2-(1,3-benzothiazol-2-yloxy)-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

4477-0943

Molecular Formula

C22H13F3N2O2S2 (C22 H13 F3 N2 O2 S2)

Compound Name

2-(1,3-benzothiazol-2-yloxy)-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethan-1-one

IUPAC name

2-(13-benzothiazol-2-yloxy)-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethan-1-one

SMILES

O=C(COc1nc(cccc2)c2s1)N1c(cc(C(F)(F)F)cc2)c2Sc2c1cccc2

InChI

InChI=1S/C22H13F3N2O2S2/c23-22(24,25)13-9-10-19-16(11-13)27(15-6-2-4-8-18(15)30-19)20(28)12-29-21-26-14-5-1-3-7-17(14)31-21/h1-11H,12H2

InChI Key

KXJVXDCTUZFLDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01171426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.148

Distribution Coefficient, logD

6.148

Water Solubility, LogSw

-6.21

Polar Surface Area

32.351

Acid Dissociation Constant (pKa)

17.31

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4477-0943 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 4477-0943 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-0943?
Check Price and Availability of 4477-0943, 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 4477-0943 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-0943
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-0943
  • 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 4477-0943 available by request