6528-0077 Screening compound: 3'-(4-ethoxybenzoyl)-4'-hydroxy-1'-[3-(morpholin-4-yl)propyl]-1-(prop-2-en-1-yl)-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione

6528-0077 Screening compound: 3'-(4-ethoxybenzoyl)-4'-hydroxy-1'-[3-(morpholin-4-yl)propyl]-1-(prop-2-en-1-yl)-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione
6528-0077 Screening compound: 3'-(4-ethoxybenzoyl)-4'-hydroxy-1'-[3-(morpholin-4-yl)propyl]-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 6528-0077
3'-(4-ethoxybenzoyl)-4'-hydroxy-1'-[3-(morpholin-4-yl)propyl]-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

6528-0077

Molecular Formula

C30H33N3O6 (C30 H33 N3 O6)

Compound Name

3'-(4-ethoxybenzoyl)-4'-hydroxy-1'-[3-(morpholin-4-yl)propyl]-1-(prop-2-en-1-yl)-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione

IUPAC name

3'-(4-ethoxybenzoyl)-4'-hydroxy-1'-[3-(morpholin-4-yl)propyl]-1-(prop-2-en-1-yl)-11'25'-tetrahydrospiro[indole-32'-pyrrole]-25'-dione

SMILES

CCOc(cc1)ccc1C(C(C(c(cccc1)c1N1CC=C)(C1=O)N(CCCN1CCOCC1)C1=O)=C1O)=O

InChI

InChI=1S/C30H33N3O6/c1-3-14-32-24-9-6-5-8-23(24)30(29(32)37)25(26(34)21-10-12-22(13-11-21)39-4-2)27(35)28(36)33(30)16-7-15-31-17-19-38-20-18-31/h3,5-6,8-13,35H,1,4,7,14-20H2,2H3/t30-/m0/s1

InChI Key

ADJBYVHQLPNOME-PMERELPUSA-N

MDL Number (MFCD)

MFCD04446902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.900

Distribution Coefficient, logD

2.749

Water Solubility, LogSw

-3.42

Polar Surface Area

78.972

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.70

6528-0077 in Drug Discovery

Included in Screening Libraries

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 6528-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6528-0077?
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What is the minimum amount of 6528-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6528-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6528-0077
  • 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 6528-0077 available by request