8010-5408 Screening compound: 3'-(3-bromo-4-methylphenyl)-1-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione

8010-5408 Screening compound: 3'-(3-bromo-4-methylphenyl)-1-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione
8010-5408 Screening compound: 3'-(3-bromo-4-methylphenyl)-1-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5408
3'-(3-bromo-4-methylphenyl)-1-[(1,2,3,4-tetrahydroisoquinolin-2-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

8010-5408

Molecular Formula

C27H24BrN3O2S (C27 H24 BrN3 O2 S)

Compound Name

3'-(3-bromo-4-methylphenyl)-1-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione

IUPAC name

3'-(3-bromo-4-methylphenyl)-1-[(1234-tetrahydroisoquinolin-2-yl)methyl]-12-dihydrospiro[indole-32'-[13]thiazolidine]-24'-dione

SMILES

Cc(ccc(N(C(c(cccc1)c1N1CN(CC2)Cc3c2cccc3)(C1=O)SC1)C1=O)c1)c1Br

InChI

InChI=1S/C27H24BrN3O2S/c1-18-10-11-21(14-23(18)28)31-25(32)16-34-27(31)22-8-4-5-9-24(22)30(26(27)33)17-29-13-12-19-6-2-3-7-20(19)15-29/h2-11,14H,12-13,15-17H2,1H3/t27-/m0/s1

InChI Key

RAGJEHYWQRSLBV-MHZLTWQESA-N

MDL Number (MFCD)

MFCD02039643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.821

Distribution Coefficient, logD

5.039

Water Solubility, LogSw

-5.42

Polar Surface Area

36.124

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

8.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

8010-5408 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-5408 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8010-5408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5408
  • 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 8010-5408 available by request