6528-0087 Screening compound: 3'-(4-chlorobenzoyl)-1'-[3-(dimethylamino)propyl]-4'-hydroxy-1-methyl-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione

6528-0087 Screening compound: 3'-(4-chlorobenzoyl)-1'-[3-(dimethylamino)propyl]-4'-hydroxy-1-methyl-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione
6528-0087 Screening compound: 3'-(4-chlorobenzoyl)-1'-[3-(dimethylamino)propyl]-4'-hydroxy-1-methyl-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6528-0087
3'-(4-chlorobenzoyl)-1'-[3-(dimethylamino)propyl]-4'-hydroxy-1-methyl-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-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

6528-0087

Molecular Formula

C24H24ClN3O4 (C24 H24 ClN3 O4)

Compound Name

3'-(4-chlorobenzoyl)-1'-[3-(dimethylamino)propyl]-4'-hydroxy-1-methyl-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione

IUPAC name

3'-(4-chlorobenzoyl)-1'-[3-(dimethylamino)propyl]-4'-hydroxy-1-methyl-11'25'-tetrahydrospiro[indole-32'-pyrrole]-25'-dione

SMILES

CN(C)CCCN(C(c(cccc1)c1N1C)(C(C(c(cc2)ccc2Cl)=O)=C2O)C1=O)C2=O

InChI

InChI=1S/C24H24ClN3O4/c1-26(2)13-6-14-28-22(31)21(30)19(20(29)15-9-11-16(25)12-10-15)24(28)17-7-4-5-8-18(17)27(3)23(24)32/h4-5,7-12,30H,6,13-14H2,1-3H3/t24-/m0/s1

InChI Key

OFKPLTXDFYBXFD-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD04448696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.507

Distribution Coefficient, logD

0.637

Water Solubility, LogSw

-3.35

Polar Surface Area

63.882

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

9.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

6528-0087 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 6528-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6528-0087?
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What is the minimum amount of 6528-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6528-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6528-0087
  • 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 6528-0087 available by request