6528-0174 Screening compound: 1'-[2-(dimethylamino)ethyl]-1-ethyl-4'-hydroxy-3'-(4-methoxybenzoyl)-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione

6528-0174 Screening compound: 1'-[2-(dimethylamino)ethyl]-1-ethyl-4'-hydroxy-3'-(4-methoxybenzoyl)-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione
6528-0174 Screening compound: 1'-[2-(dimethylamino)ethyl]-1-ethyl-4'-hydroxy-3'-(4-methoxybenzoyl)-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6528-0174
1'-[2-(dimethylamino)ethyl]-1-ethyl-4'-hydroxy-3'-(4-methoxybenzoyl)-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

6528-0174

Molecular Formula

C25H27N3O5 (C25 H27 N3 O5)

Compound Name

1'-[2-(dimethylamino)ethyl]-1-ethyl-4'-hydroxy-3'-(4-methoxybenzoyl)-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione

IUPAC name

1'-[2-(dimethylamino)ethyl]-1-ethyl-4'-hydroxy-3'-(4-methoxybenzoyl)-11'25'-tetrahydrospiro[indole-32'-pyrrole]-25'-dione

SMILES

CCN(C(C1(C(C(c(cc2)ccc2OC)=O)=C2O)N(CCN(C)C)C2=O)=O)c2c1cccc2

InChI

InChI=1S/C25H27N3O5/c1-5-27-19-9-7-6-8-18(19)25(24(27)32)20(21(29)16-10-12-17(33-4)13-11-16)22(30)23(31)28(25)15-14-26(2)3/h6-13,30H,5,14-15H2,1-4H3/t25-/m0/s1

InChI Key

WZPQMIAYVFWQQL-VWLOTQADSA-N

MDL Number (MFCD)

MFCD06645062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.456

Distribution Coefficient, logD

1.964

Water Solubility, LogSw

-2.74

Polar Surface Area

71.385

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

7.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

6528-0174 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 6528-0174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6528-0174?
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What is the minimum amount of 6528-0174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6528-0174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6528-0174
  • 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 6528-0174 available by request