8013-0117 Screening compound: 3'-(3,4-dimethylphenyl)-1-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione

8013-0117 Screening compound: 3'-(3,4-dimethylphenyl)-1-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione
8013-0117 Screening compound: 3'-(3,4-dimethylphenyl)-1-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0117
3'-(3,4-dimethylphenyl)-1-{[4-(2-fluorophenyl)piperazin-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

8013-0117

Molecular Formula

C29H29FN4O2S (C29 H29 FN4 O2 S)

Compound Name

3'-(3,4-dimethylphenyl)-1-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione

IUPAC name

3'-(34-dimethylphenyl)-1-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-12-dihydrospiro[indole-32'-[13]thiazolidine]-24'-dione

SMILES

Cc(cc1)c(C)cc1N(C(c(cccc1)c1N1CN(CC2)CCN2c(cccc2)c2F)(C1=O)SC1)C1=O

InChI

InChI=1S/C29H29FN4O2S/c1-20-11-12-22(17-21(20)2)34-27(35)18-37-29(34)23-7-3-5-9-25(23)33(28(29)36)19-31-13-15-32(16-14-31)26-10-6-4-8-24(26)30/h3-12,17H,13-16,18-19H2,1-2H3/t29-/m0/s1

InChI Key

FRBIYWNAAVTYAF-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD03198377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.394

Distribution Coefficient, logD

5.252

Water Solubility, LogSw

-5.36

Polar Surface Area

39.421

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

8013-0117 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 8013-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0117?
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What is the minimum amount of 8013-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0117
  • 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 8013-0117 available by request