4477-2393 Screening compound: 2-{1-oxo-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]butan-2-yl}-2,3-dihydro-1H-isoindole-1,3-dione

4477-2393 Screening compound: 2-{1-oxo-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]butan-2-yl}-2,3-dihydro-1H-isoindole-1,3-dione
4477-2393 Screening compound: 2-{1-oxo-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]butan-2-yl}-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-2393
2-{1-oxo-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]butan-2-yl}-2,3-dihydro-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

4477-2393

Molecular Formula

C25H17F3N2O3S (C25 H17 F3 N2 O3 S)

Compound Name

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

IUPAC name

2-{1-oxo-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]butan-2-yl}-23-dihydro-1H-isoindole-13-dione

SMILES

CCC(C(N1c(cc(C(F)(F)F)cc2)c2Sc2c1cccc2)=O)N(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C25H17F3N2O3S/c1-2-17(30-22(31)15-7-3-4-8-16(15)23(30)32)24(33)29-18-9-5-6-10-20(18)34-21-12-11-14(13-19(21)29)25(26,27)28/h3-13,17H,2H2,1H3/t17-/m0/s1

InChI Key

RDPAQVNSNBMAKY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02733212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.994

Distribution Coefficient, logD

5.994

Water Solubility, LogSw

-5.62

Polar Surface Area

42.320

Acid Dissociation Constant (pKa)

19.28

Base Dissociation Constant (pKb)

-4.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

4477-2393 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4477-2393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-2393?
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What is the minimum amount of 4477-2393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-2393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-2393
  • 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 4477-2393 available by request