E897-0450 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-3'-(3,5-dimethylphenyl)-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione

E897-0450 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-3'-(3,5-dimethylphenyl)-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione
E897-0450 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-3'-(3,5-dimethylphenyl)-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E897-0450
1-[(2-chloro-6-fluorophenyl)methyl]-3'-(3,5-dimethylphenyl)-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

E897-0450

Molecular Formula

C25H20ClFN2O2S (C25 H20 ClFN2 O2 S)

Compound Name

1-[(2-chloro-6-fluorophenyl)methyl]-3'-(3,5-dimethylphenyl)-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione

IUPAC name

1-[(2-chloro-6-fluorophenyl)methyl]-3'-(35-dimethylphenyl)-12-dihydrospiro[indole-32'-[13]thiazolidine]-24'-dione

SMILES

Cc1cc(N(C(c(cccc2)c2N2Cc(c(F)ccc3)c3Cl)(C2=O)SC2)C2=O)cc(C)c1

InChI

InChI=1S/C25H20ClFN2O2S/c1-15-10-16(2)12-17(11-15)29-23(30)14-32-25(29)19-6-3-4-9-22(19)28(24(25)31)13-18-20(26)7-5-8-21(18)27/h3-12H,13-14H2,1-2H3/t25-/m0/s1

InChI Key

LQIJPUFKGBYXCV-VWLOTQADSA-N

MDL Number (MFCD)

MFCD08568884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.787

Distribution Coefficient, logD

5.787

Water Solubility, LogSw

-5.79

Polar Surface Area

31.036

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

-6.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

E897-0450 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E897-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E897-0450?
Check Price and Availability of E897-0450, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E897-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E897-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E897-0450
  • 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 E897-0450 available by request