3389-1416 Screening compound: 2-{2-oxo-2-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethyl}-octahydro-1H-isoindole-1,3-dione

3389-1416 Screening compound: 2-{2-oxo-2-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethyl}-octahydro-1H-isoindole-1,3-dione
3389-1416 Screening compound: 2-{2-oxo-2-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethyl}-octahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3389-1416
2-{2-oxo-2-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethyl}-octahydro-1H-isoindole-1,3-dione

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

3389-1416

Molecular Formula

C23H19F3N2O3S (C23 H19 F3 N2 O3 S)

Compound Name

2-{2-oxo-2-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethyl}-octahydro-1H-isoindole-1,3-dione

IUPAC name

2-{2-oxo-2-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethyl}-octahydro-1H-isoindole-13-dione

SMILES

O=C(CN(C(C1C2CCCC1)=O)C2=O)N1c(cc(C(F)(F)F)cc2)c2Sc2c1cccc2

InChI

InChI=1S/C23H19F3N2O3S/c24-23(25,26)13-9-10-19-17(11-13)28(16-7-3-4-8-18(16)32-19)20(29)12-27-21(30)14-5-1-2-6-15(14)22(27)31/h3-4,7-11,14-15H,1-2,5-6,12H2

InChI Key

GWNAZGKJKWKYQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01363199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.153

Distribution Coefficient, logD

4.153

Water Solubility, LogSw

-4.39

Polar Surface Area

43.059

Acid Dissociation Constant (pKa)

19.09

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.80

3389-1416 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3389-1416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3389-1416?
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What is the minimum amount of 3389-1416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3389-1416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3389-1416
  • 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 3389-1416 available by request