6063-1531 Screening compound: 1-[(4-benzylpiperazin-1-yl)methyl]-3'-phenyl-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione

6063-1531 Screening compound: 1-[(4-benzylpiperazin-1-yl)methyl]-3'-phenyl-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione
6063-1531 Screening compound: 1-[(4-benzylpiperazin-1-yl)methyl]-3'-phenyl-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6063-1531
1-[(4-benzylpiperazin-1-yl)methyl]-3'-phenyl-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

6063-1531

Molecular Formula

C28H28N4O2S (C28 H28 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSC1(c(cccc2)c2N2CN3CCN(Cc4ccccc4)CC3)C2=O)N1c1ccccc1

InChI

InChI=1S/C28H28N4O2S/c33-26-20-35-28(32(26)23-11-5-2-6-12-23)24-13-7-8-14-25(24)31(27(28)34)21-30-17-15-29(16-18-30)19-22-9-3-1-4-10-22/h1-14H,15-21H2/t28-/m0/s1

InChI Key

WDSQCSGKOIUFLG-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD01995849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.642

Distribution Coefficient, logD

2.675

Water Solubility, LogSw

-3.95

Polar Surface Area

40.002

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

6063-1531 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 6063-1531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6063-1531?
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What is the minimum amount of 6063-1531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6063-1531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6063-1531
  • 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 6063-1531 available by request