8010-0875 Screening compound: ethyl 1-{[3'-(4-methylphenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]methyl}piperidine-4-carboxylate

8010-0875 Screening compound: ethyl 1-{[3'-(4-methylphenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]methyl}piperidine-4-carboxylate
8010-0875 Screening compound: ethyl 1-{[3'-(4-methylphenyl)-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 8010-0875
ethyl 1-{[3'-(4-methylphenyl)-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

8010-0875

Molecular Formula

C26H29N3O4S (C26 H29 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C1CCN(CN(C(C2(N3c4ccc(C)cc4)SCC3=O)=O)c3c2cccc3)CC1)=O

InChI

InChI=1S/C26H29N3O4S/c1-3-33-24(31)19-12-14-27(15-13-19)17-28-22-7-5-4-6-21(22)26(25(28)32)29(23(30)16-34-26)20-10-8-18(2)9-11-20/h4-11,19H,3,12-17H2,1-2H3/t26-/m0/s1

InChI Key

ZVJVRKYTGMVGAA-SANMLTNESA-N

MDL Number (MFCD)

MFCD01871102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.6

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

3.855

Distribution Coefficient, logD

1.660

Water Solubility, LogSw

-3.85

Polar Surface Area

57.215

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

9.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

8010-0875 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-0875 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0875?
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What is the minimum amount of 8010-0875 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0875
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0875
  • 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 8010-0875 available by request