6528-0362 Screening compound: 4'-hydroxy-1'-(2-methoxyethyl)-1-methyl-3'-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione

6528-0362 Screening compound: 4'-hydroxy-1'-(2-methoxyethyl)-1-methyl-3'-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione
6528-0362 Screening compound: 4'-hydroxy-1'-(2-methoxyethyl)-1-methyl-3'-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6528-0362
4'-hydroxy-1'-(2-methoxyethyl)-1-methyl-3'-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-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

6528-0362

Molecular Formula

C25H24N2O6 (C25 H24 N2 O6)

Compound Name

4'-hydroxy-1'-(2-methoxyethyl)-1-methyl-3'-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione

IUPAC name

4'-hydroxy-1'-(2-methoxyethyl)-1-methyl-3'-(2-methyl-23-dihydro-1-benzofuran-5-carbonyl)-11'25'-tetrahydrospiro[indole-32'-pyrrole]-25'-dione

SMILES

CC(C1)Oc(cc2)c1cc2C(C(C(c(cccc1)c1N1C)(C1=O)N(CCOC)C1=O)=C1O)=O

InChI

InChI=1S/C25H24N2O6/c1-14-12-16-13-15(8-9-19(16)33-14)21(28)20-22(29)23(30)27(10-11-32-3)25(20)17-6-4-5-7-18(17)26(2)24(25)31/h4-9,13-14,29H,10-12H2,1-3H3

InChI Key

PKSSLOBCJQRYBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06647515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.332

Distribution Coefficient, logD

2.329

Water Solubility, LogSw

-3.08

Polar Surface Area

75.761

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.00

6528-0362 in Drug Discovery

Included in Screening Libraries

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

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 6528-0362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6528-0362?
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What is the minimum amount of 6528-0362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6528-0362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6528-0362
  • 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 6528-0362 available by request