8018-1312 Screening compound: 3'-(4-chlorophenyl)-1-[(3-phenylpyrrolidin-1-yl)methyl]-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione

8018-1312 Screening compound: 3'-(4-chlorophenyl)-1-[(3-phenylpyrrolidin-1-yl)methyl]-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione
8018-1312 Screening compound: 3'-(4-chlorophenyl)-1-[(3-phenylpyrrolidin-1-yl)methyl]-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1312
3'-(4-chlorophenyl)-1-[(3-phenylpyrrolidin-1-yl)methyl]-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

8018-1312

Molecular Formula

C27H24ClN3O2S (C27 H24 ClN3 O2 S)

Compound Name

3'-(4-chlorophenyl)-1-[(3-phenylpyrrolidin-1-yl)methyl]-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione

IUPAC name

3'-(4-chlorophenyl)-1-[(3-phenylpyrrolidin-1-yl)methyl]-12-dihydrospiro[indole-32'-[13]thiazolidine]-24'-dione

SMILES

O=C(CSC1(c(cccc2)c2N2CN(CC3)CC3c3ccccc3)C2=O)N1c(cc1)ccc1Cl

InChI

InChI=1S/C27H24ClN3O2S/c28-21-10-12-22(13-11-21)31-25(32)17-34-27(31)23-8-4-5-9-24(23)30(26(27)33)18-29-15-14-20(16-29)19-6-2-1-3-7-19/h1-13,20H,14-18H2

InChI Key

KMYPEBMEKUQHKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.03

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.350

Distribution Coefficient, logD

3.332

Water Solubility, LogSw

-5.99

Polar Surface Area

36.490

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

9.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.90

8018-1312 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-1312 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8018-1312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1312
  • 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 8018-1312 available by request