E963-0245 Screening compound: 1-(2,5-dimethylbenzyl)-3'-(4-ethoxyphenyl)-4'H-spiro[indole-3,2'-[1,3]thiazolidine]-2,4'(1H)-dione 1',1'-dioxide

E963-0245 Screening compound: 1-(2,5-dimethylbenzyl)-3'-(4-ethoxyphenyl)-4'H-spiro[indole-3,2'-[1,3]thiazolidine]-2,4'(1H)-dione 1',1'-dioxide
E963-0245 Screening compound: 1-(2,5-dimethylbenzyl)-3'-(4-ethoxyphenyl)-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 E963-0245
1-(2,5-dimethylbenzyl)-3'-(4-ethoxyphenyl)-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

E963-0245

Molecular Formula

C27H26N2O5S (C27 H26 N2 O5 S)

Compound Name

1-(2,5-dimethylbenzyl)-3'-(4-ethoxyphenyl)-4'H-spiro[indole-3,2'-[1,3]thiazolidine]-2,4'(1H)-dione 1',1'-dioxide

IUPAC name

1-[(25-dimethylphenyl)methyl]-3'-(4-ethoxyphenyl)-12-dihydrospiro[indole-32'-[1lambda63]thiazolidine]-1'1'24'-tetrone

SMILES

CCOc(cc1)ccc1N(C(c(cccc1)c1N1Cc2c(C)ccc(C)c2)(C1=O)S(C1)(=O)=O)C1=O

InChI

InChI=1S/C27H26N2O5S/c1-4-34-22-13-11-21(12-14-22)29-25(30)17-35(32,33)27(29)23-7-5-6-8-24(23)28(26(27)31)16-20-15-18(2)9-10-19(20)3/h5-15H,4,16-17H2,1-3H3/t27-/m0/s1

InChI Key

MHCOSTZQKNAFBR-MHZLTWQESA-N

MDL Number (MFCD)

MFCD08540004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.58

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

4.464

Distribution Coefficient, logD

0.784

Water Solubility, LogSw

-4.38

Polar Surface Area

66.658

Acid Dissociation Constant (pKa)

3.72

Base Dissociation Constant (pKb)

-7.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

E963-0245 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E963-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E963-0245?
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What is the minimum amount of E963-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E963-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E963-0245
  • 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 E963-0245 available by request