C200-5100 Screening compound: 1-(2,5-dimethylbenzyl)-3'-[3-(trifluoromethyl)phenyl]-4'H-spiro[indole-3,2'-[1,3]thiazolidine]-2,4'(1H)-dione 1',1'-dioxide

C200-5100 Screening compound: 1-(2,5-dimethylbenzyl)-3'-[3-(trifluoromethyl)phenyl]-4'H-spiro[indole-3,2'-[1,3]thiazolidine]-2,4'(1H)-dione 1',1'-dioxide
C200-5100 Screening compound: 1-(2,5-dimethylbenzyl)-3'-[3-(trifluoromethyl)phenyl]-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 C200-5100
1-(2,5-dimethylbenzyl)-3'-[3-(trifluoromethyl)phenyl]-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

C200-5100

Molecular Formula

C26H21F3N2O4S (C26 H21 F3 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(CN(C(C2(N(C(C3)=O)c4cc(C(F)(F)F)ccc4)S3(=O)=O)=O)c3c2cccc3)c(C)cc1

InChI

InChI=1S/C26H21F3N2O4S/c1-16-10-11-17(2)18(12-16)14-30-22-9-4-3-8-21(22)25(24(30)33)31(23(32)15-36(25,34)35)20-7-5-6-19(13-20)26(27,28)29/h3-13H,14-15H2,1-2H3/t25-/m0/s1

InChI Key

ZGLZVTMAZYBZRT-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14727753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.951

Distribution Coefficient, logD

1.271

Water Solubility, LogSw

-4.70

Polar Surface Area

59.535

Acid Dissociation Constant (pKa)

3.72

Base Dissociation Constant (pKb)

-7.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

C200-5100 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

CNS targets activity set (6557 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)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C200-5100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5100?
Check Price and Availability of C200-5100, 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 C200-5100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5100
  • 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 C200-5100 available by request