E897-0521 Screening compound: 2-[3'-(3,4-difluorophenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]-N-(2-methoxyphenyl)acetamide

E897-0521 Screening compound: 2-[3'-(3,4-difluorophenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]-N-(2-methoxyphenyl)acetamide
E897-0521 Screening compound: 2-[3'-(3,4-difluorophenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]-N-(2-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E897-0521
2-[3'-(3,4-difluorophenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]-N-(2-methoxyphenyl)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

E897-0521

Molecular Formula

C25H19F2N3O4S (C25 H19 F2 N3 O4 S)

Compound Name

2-[3'-(3,4-difluorophenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]-N-(2-methoxyphenyl)acetamide

IUPAC name

2-[3'-(34-difluorophenyl)-24'-dioxo-12-dihydrospiro[indole-32'-[13]thiazolidin]-1-yl]-N-(2-methoxyphenyl)acetamide

SMILES

COc(cccc1)c1NC(CN(C(C1(N2c(cc3)cc(F)c3F)SCC2=O)=O)c2c1cccc2)=O

InChI

InChI=1S/C25H19F2N3O4S/c1-34-21-9-5-3-7-19(21)28-22(31)13-29-20-8-4-2-6-16(20)25(24(29)33)30(23(32)14-35-25)15-10-11-17(26)18(27)12-15/h2-12H,13-14H2,1H3,(H,28,31)/t25-/m0/s1

InChI Key

RQMQJYHDUFPQND-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14926332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.804

Distribution Coefficient, logD

3.804

Water Solubility, LogSw

-3.99

Polar Surface Area

61.118

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

E897-0521 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral HBV Library (10007 compounds)

Protein-Protein Interaction Library (218420 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
Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with E897-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E897-0521?
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What is the minimum amount of E897-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E897-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E897-0521
  • 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 E897-0521 available by request