E952-0055 Screening compound: 1-benzyl-3'-(3,5-dimethylphenyl)-1,2-dihydrospiro[indole-3,2'-[1,3]thiazinane]-2,4'-dione

E952-0055 Screening compound: 1-benzyl-3'-(3,5-dimethylphenyl)-1,2-dihydrospiro[indole-3,2'-[1,3]thiazinane]-2,4'-dione
E952-0055 Screening compound: 1-benzyl-3'-(3,5-dimethylphenyl)-1,2-dihydrospiro[indole-3,2'-[1,3]thiazinane]-2,4'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E952-0055
1-benzyl-3'-(3,5-dimethylphenyl)-1,2-dihydrospiro[indole-3,2'-[1,3]thiazinane]-2,4'-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

E952-0055

Molecular Formula

C26H24N2O2S (C26 H24 N2 O2 S)

Compound Name

1-benzyl-3'-(3,5-dimethylphenyl)-1,2-dihydrospiro[indole-3,2'-[1,3]thiazinane]-2,4'-dione

IUPAC name

1-benzyl-3'-(35-dimethylphenyl)-12-dihydrospiro[indole-32'-[13]thiazinane]-24'-dione

SMILES

Cc1cc(N(C(c(cccc2)c2N2Cc3ccccc3)(C2=O)SCC2)C2=O)cc(C)c1

InChI

InChI=1S/C26H24N2O2S/c1-18-14-19(2)16-21(15-18)28-24(29)12-13-31-26(28)22-10-6-7-11-23(22)27(25(26)30)17-20-8-4-3-5-9-20/h3-11,14-16H,12-13,17H2,1-2H3/t26-/m0/s1

InChI Key

SOQKPMRSVTWREF-SANMLTNESA-N

MDL Number (MFCD)

MFCD14930650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.435

Distribution Coefficient, logD

5.435

Water Solubility, LogSw

-5.35

Polar Surface Area

30.670

Acid Dissociation Constant (pKa)

21.65

Base Dissociation Constant (pKb)

-4.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

E952-0055 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Proteases Annotated Library (2868 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with E952-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E952-0055?
Check Price and Availability of E952-0055, 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 E952-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E952-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E952-0055
  • 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 E952-0055 available by request