E963-0191 Screening compound: 1-(2-chloro-6-fluorobenzyl)-3'-(4-methoxyphenyl)-4'H-spiro[indole-3,2'-[1,3]thiazolidine]-2,4'(1H)-dione 1',1'-dioxide

E963-0191 Screening compound: 1-(2-chloro-6-fluorobenzyl)-3'-(4-methoxyphenyl)-4'H-spiro[indole-3,2'-[1,3]thiazolidine]-2,4'(1H)-dione 1',1'-dioxide
E963-0191 Screening compound: 1-(2-chloro-6-fluorobenzyl)-3'-(4-methoxyphenyl)-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 E963-0191
1-(2-chloro-6-fluorobenzyl)-3'-(4-methoxyphenyl)-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

E963-0191

Molecular Formula

C24H18ClFN2O5S (C24 H18 ClFN2 O5 S)

Compound Name

1-(2-chloro-6-fluorobenzyl)-3'-(4-methoxyphenyl)-4'H-spiro[indole-3,2'-[1,3]thiazolidine]-2,4'(1H)-dione 1',1'-dioxide

IUPAC name

1-[(2-chloro-6-fluorophenyl)methyl]-3'-(4-methoxyphenyl)-12-dihydrospiro[indole-32'-[1lambda63]thiazolidine]-1'1'24'-tetrone

SMILES

COc(cc1)ccc1N(C(c(cccc1)c1N1Cc(c(F)ccc2)c2Cl)(C1=O)S(C1)(=O)=O)C1=O

InChI

InChI=1S/C24H18ClFN2O5S/c1-33-16-11-9-15(10-12-16)28-22(29)14-34(31,32)24(28)18-5-2-3-8-21(18)27(23(24)30)13-17-19(25)6-4-7-20(17)26/h2-12H,13-14H2,1H3/t24-/m0/s1

InChI Key

VOKFQDAZKRGQKV-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14933564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.506

Distribution Coefficient, logD

-0.173

Water Solubility, LogSw

-3.92

Polar Surface Area

67.078

Acid Dissociation Constant (pKa)

3.72

Base Dissociation Constant (pKb)

-8.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

E963-0191 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Human Proteases Annotated Library (2868 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 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 E963-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E963-0191?
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What is the minimum amount of E963-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E963-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E963-0191
  • 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 E963-0191 available by request