6528-0396 Screening compound: 1'-[2-(dimethylamino)ethyl]-4'-hydroxy-3'-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-(prop-2-en-1-yl)-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione

6528-0396 Screening compound: 1'-[2-(dimethylamino)ethyl]-4'-hydroxy-3'-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-(prop-2-en-1-yl)-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione
6528-0396 Screening compound: 1'-[2-(dimethylamino)ethyl]-4'-hydroxy-3'-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-(prop-2-en-1-yl)-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6528-0396
1'-[2-(dimethylamino)ethyl]-4'-hydroxy-3'-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-(prop-2-en-1-yl)-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

6528-0396

Molecular Formula

C28H29N3O5 (C28 H29 N3 O5)

Compound Name

1'-[2-(dimethylamino)ethyl]-4'-hydroxy-3'-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-(prop-2-en-1-yl)-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione

IUPAC name

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

SMILES

CC(C1)Oc(cc2)c1cc2C(C(C(c(cccc1)c1N1CC=C)(C1=O)N(CCN(C)C)C1=O)=C1O)=O

InChI

InChI=1S/C28H29N3O5/c1-5-12-30-21-9-7-6-8-20(21)28(27(30)35)23(25(33)26(34)31(28)14-13-29(3)4)24(32)18-10-11-22-19(16-18)15-17(2)36-22/h5-11,16-17,33H,1,12-15H2,2-4H3

InChI Key

HAPCKRBBHIJKSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06651419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.56

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

3.185

Distribution Coefficient, logD

2.692

Water Solubility, LogSw

-3.57

Polar Surface Area

71.497

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

7.72

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.10

6528-0396 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Akt-Targeted Library (14764 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
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6528-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6528-0396?
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What is the minimum amount of 6528-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6528-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6528-0396
  • 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 6528-0396 available by request