S400-0037 Screening compound: 4''-benzyl-7'-phenyl-5''-sulfanylidene-1,1',2,3',7',7'a-hexahydrodispiro[indole-3,5'-pyrrolo[1,2-c][1,3]thiazole-6',2''-[1,4]thiazolidine]-2,3''-dione

S400-0037 Screening compound: 4''-benzyl-7'-phenyl-5''-sulfanylidene-1,1',2,3',7',7'a-hexahydrodispiro[indole-3,5'-pyrrolo[1,2-c][1,3]thiazole-6',2''-[1,4]thiazolidine]-2,3''-dione
S400-0037 Screening compound: 4''-benzyl-7'-phenyl-5''-sulfanylidene-1,1',2,3',7',7'a-hexahydrodispiro[indole-3,5'-pyrrolo[1,2-c][1,3]thiazole-6',2''-[1,4]thiazolidine]-2,3''-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S400-0037
4''-benzyl-7'-phenyl-5''-sulfanylidene-1,1',2,3',7',7'a-hexahydrodispiro[indole-3,5'-pyrrolo[1,2-c][1,3]thiazole-6',2''-[1,4]thiazolidine]-2,3''-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

S400-0037

Molecular Formula

C28H23N3O2S3 (C28 H23 N3 O2 S3)

Compound Name

4''-benzyl-7'-phenyl-5''-sulfanylidene-1,1',2,3',7',7'a-hexahydrodispiro[indole-3,5'-pyrrolo[1,2-c][1,3]thiazole-6',2''-[1,4]thiazolidine]-2,3''-dione

IUPAC name

4''-benzyl-7'-phenyl-5''-sulfanylidene-11'23'7'7'a-hexahydrodispiro[indole-35'-pyrrolo[12-c][13]thiazole-6'2''-[14]thiazolidine]-23''-dione

SMILES

O=C(C1(C2(C(N3Cc4ccccc4)=O)SC3=S)N(CSC3)C3C2c2ccccc2)Nc2c1cccc2

InChI

InChI=1S/C28H23N3O2S3/c32-24-27(20-13-7-8-14-21(20)29-24)28(23(19-11-5-2-6-12-19)22-16-35-17-31(22)27)25(33)30(26(34)36-28)15-18-9-3-1-4-10-18/h1-14,22-23H,15-17H2,(H,29,32)

InChI Key

ZPYXYRMKOZRZHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.71

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.053

Distribution Coefficient, logD

6.049

Water Solubility, LogSw

-5.91

Polar Surface Area

44.521

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

25.00

S400-0037 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with S400-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S400-0037?
Check Price and Availability of S400-0037, 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 S400-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S400-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S400-0037
  • 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 S400-0037 available by request