E897-0553 Screening compound: N-cyclopentyl-2-[3'-(3,5-dimethylphenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]acetamide

E897-0553 Screening compound: N-cyclopentyl-2-[3'-(3,5-dimethylphenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]acetamide
E897-0553 Screening compound: N-cyclopentyl-2-[3'-(3,5-dimethylphenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E897-0553
N-cyclopentyl-2-[3'-(3,5-dimethylphenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]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

E897-0553

Molecular Formula

C25H27N3O3S (C25 H27 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(N(C(c(cccc2)c2N2CC(NC3CCCC3)=O)(C2=O)SC2)C2=O)cc(C)c1

InChI

InChI=1S/C25H27N3O3S/c1-16-11-17(2)13-19(12-16)28-23(30)15-32-25(28)20-9-5-6-10-21(20)27(24(25)31)14-22(29)26-18-7-3-4-8-18/h5-6,9-13,18H,3-4,7-8,14-15H2,1-2H3,(H,26,29)/t25-/m0/s1

InChI Key

YJXRHGLACWZGOW-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14926355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.062

Distribution Coefficient, logD

4.062

Water Solubility, LogSw

-4.18

Polar Surface Area

55.598

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

E897-0553 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E897-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E897-0553?
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What is the minimum amount of E897-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E897-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E897-0553
  • 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 E897-0553 available by request