E897-0306 Screening compound: 3'-(3-methylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione

E897-0306 Screening compound: 3'-(3-methylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione
E897-0306 Screening compound: 3'-(3-methylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E897-0306
3'-(3-methylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione

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

E897-0306

Molecular Formula

C25H19F3N2O2S (C25 H19 F3 N2 O2 S)

Compound Name

3'-(3-methylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione

IUPAC name

3'-(3-methylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-12-dihydrospiro[indole-32'-[13]thiazolidine]-24'-dione

SMILES

Cc1cccc(N(C(c(cccc2)c2N2Cc3cc(C(F)(F)F)ccc3)(C2=O)SC2)C2=O)c1

InChI

InChI=1S/C25H19F3N2O2S/c1-16-6-4-9-19(12-16)30-22(31)15-33-24(30)20-10-2-3-11-21(20)29(23(24)32)14-17-7-5-8-18(13-17)25(26,27)28/h2-13H,14-15H2,1H3/t24-/m0/s1

InChI Key

MYZVROOJSXSYTK-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14926172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.532

Distribution Coefficient, logD

5.532

Water Solubility, LogSw

-5.57

Polar Surface Area

31.036

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

-6.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

E897-0306 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with E897-0306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E897-0306?
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What is the minimum amount of E897-0306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E897-0306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E897-0306
  • 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 E897-0306 available by request