E963-0209 Screening compound: 3'-(4-ethoxyphenyl)-1-(2-methylbenzyl)-4'H-spiro[indole-3,2'-[1,3]thiazolidine]-2,4'(1H)-dione 1',1'-dioxide

E963-0209 Screening compound: 3'-(4-ethoxyphenyl)-1-(2-methylbenzyl)-4'H-spiro[indole-3,2'-[1,3]thiazolidine]-2,4'(1H)-dione 1',1'-dioxide
E963-0209 Screening compound: 3'-(4-ethoxyphenyl)-1-(2-methylbenzyl)-4'H-spiro[indole-3,2'-[1,3]thiazolidine]-2,4'(1H)-dione 1',1'-dioxide alternative view

Chemical Structure Depiction of ChemDiv screening compound E963-0209
3'-(4-ethoxyphenyl)-1-(2-methylbenzyl)-4'H-spiro[indole-3,2'-[1,3]thiazolidine]-2,4'(1H)-dione 1',1'-dioxide

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

E963-0209

Molecular Formula

C26H24N2O5S (C26 H24 N2 O5 S)

Compound Name

3'-(4-ethoxyphenyl)-1-(2-methylbenzyl)-4'H-spiro[indole-3,2'-[1,3]thiazolidine]-2,4'(1H)-dione 1',1'-dioxide

IUPAC name

3'-(4-ethoxyphenyl)-1-[(2-methylphenyl)methyl]-12-dihydrospiro[indole-32'-[1lambda63]thiazolidine]-1'1'24'-tetrone

SMILES

CCOc(cc1)ccc1N(C(c(cccc1)c1N1Cc2c(C)cccc2)(C1=O)S(C1)(=O)=O)C1=O

InChI

InChI=1S/C26H24N2O5S/c1-3-33-21-14-12-20(13-15-21)28-24(29)17-34(31,32)26(28)22-10-6-7-11-23(22)27(25(26)30)16-19-9-5-4-8-18(19)2/h4-15H,3,16-17H2,1-2H3/t26-/m0/s1

InChI Key

JETIAEYWROFYEC-SANMLTNESA-N

MDL Number (MFCD)

MFCD08539995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.036

Distribution Coefficient, logD

0.356

Water Solubility, LogSw

-4.10

Polar Surface Area

66.658

Acid Dissociation Constant (pKa)

3.72

Base Dissociation Constant (pKb)

-7.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

E963-0209 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)

?ysteine Targeted Covalent Library (39471 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 E963-0209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E963-0209?
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What is the minimum amount of E963-0209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E963-0209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E963-0209
  • 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 E963-0209 available by request