E897-0452 Screening compound: 2-[3'-(3,5-dimethylphenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]-N-(2-phenylethyl)acetamide

E897-0452 Screening compound: 2-[3'-(3,5-dimethylphenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]-N-(2-phenylethyl)acetamide
E897-0452 Screening compound: 2-[3'-(3,5-dimethylphenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E897-0452
2-[3'-(3,5-dimethylphenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]-N-(2-phenylethyl)acetamide

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

E897-0452

Molecular Formula

C28H27N3O3S (C28 H27 N3 O3 S)

Compound Name

2-[3'-(3,5-dimethylphenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]-N-(2-phenylethyl)acetamide

IUPAC name

2-[3'-(35-dimethylphenyl)-24'-dioxo-12-dihydrospiro[indole-32'-[13]thiazolidin]-1-yl]-N-(2-phenylethyl)acetamide

SMILES

Cc1cc(N(C(c(cccc2)c2N2CC(NCCc3ccccc3)=O)(C2=O)SC2)C2=O)cc(C)c1

InChI

InChI=1S/C28H27N3O3S/c1-19-14-20(2)16-22(15-19)31-26(33)18-35-28(31)23-10-6-7-11-24(23)30(27(28)34)17-25(32)29-13-12-21-8-4-3-5-9-21/h3-11,14-16H,12-13,17-18H2,1-2H3,(H,29,32)/t28-/m0/s1

InChI Key

GSSQWCIIYCOJBV-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD14926293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.070

Distribution Coefficient, logD

4.070

Water Solubility, LogSw

-4.20

Polar Surface Area

55.349

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

E897-0452 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E897-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E897-0452?
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What is the minimum amount of E897-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E897-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E897-0452
  • 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 E897-0452 available by request