E897-0034 Screening compound: 1-methyl-3'-[3-(trifluoromethyl)phenyl]-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione

E897-0034 Screening compound: 1-methyl-3'-[3-(trifluoromethyl)phenyl]-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione
E897-0034 Screening compound: 1-methyl-3'-[3-(trifluoromethyl)phenyl]-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E897-0034
1-methyl-3'-[3-(trifluoromethyl)phenyl]-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

E897-0034

Molecular Formula

C18H13F3N2O2S (C18 H13 F3 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C(C1(N2c3cc(C(F)(F)F)ccc3)SCC2=O)=O)c2c1cccc2

InChI

InChI=1S/C18H13F3N2O2S/c1-22-14-8-3-2-7-13(14)17(16(22)25)23(15(24)10-26-17)12-6-4-5-11(9-12)18(19,20)21/h2-9H,10H2,1H3/t17-/m0/s1

InChI Key

MWXCGDVAISAMSY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14925966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.252

Distribution Coefficient, logD

3.252

Water Solubility, LogSw

-3.83

Polar Surface Area

31.073

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

E897-0034 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 E897-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E897-0034?
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What is the minimum amount of E897-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E897-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E897-0034
  • 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 E897-0034 available by request