8011-4687 Screening compound: ethyl 1-{[3'-(4-chlorophenyl)-5'-methyl-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]methyl}piperidine-4-carboxylate

8011-4687 Screening compound: ethyl 1-{[3'-(4-chlorophenyl)-5'-methyl-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]methyl}piperidine-4-carboxylate
8011-4687 Screening compound: ethyl 1-{[3'-(4-chlorophenyl)-5'-methyl-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]methyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-4687
ethyl 1-{[3'-(4-chlorophenyl)-5'-methyl-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]methyl}piperidine-4-carboxylate

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

8011-4687

Molecular Formula

C26H28ClN3O4S (C26 H28 ClN3 O4 S)

Compound Name

ethyl 1-{[3'-(4-chlorophenyl)-5'-methyl-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]methyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{[3'-(4-chlorophenyl)-5'-methyl-24'-dioxo-12-dihydrospiro[indole-32'-[13]thiazolidin]-1-yl]methyl}piperidine-4-carboxylate

SMILES

CCOC(C1CCN(CN(C(C2(N3c(cc4)ccc4Cl)SC(C)C3=O)=O)c3c2cccc3)CC1)=O

InChI

InChI=1S/C26H28ClN3O4S/c1-3-34-24(32)18-12-14-28(15-13-18)16-29-22-7-5-4-6-21(22)26(25(29)33)30(23(31)17(2)35-26)20-10-8-19(27)9-11-20/h4-11,17-18H,3,12-16H2,1-2H3

InChI Key

IQMJXXCNCGJYAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01990385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.04

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.521

Distribution Coefficient, logD

2.325

Water Solubility, LogSw

-4.65

Polar Surface Area

56.938

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

9.59

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.30

8011-4687 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 8011-4687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-4687?
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What is the minimum amount of 8011-4687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-4687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-4687
  • 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 8011-4687 available by request