6528-0431 Screening compound: 4'-hydroxy-3'-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-1'-[2-(morpholin-4-yl)ethyl]-1-(prop-2-en-1-yl)-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione

6528-0431 Screening compound: 4'-hydroxy-3'-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-1'-[2-(morpholin-4-yl)ethyl]-1-(prop-2-en-1-yl)-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione
6528-0431 Screening compound: 4'-hydroxy-3'-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-1'-[2-(morpholin-4-yl)ethyl]-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 6528-0431
4'-hydroxy-3'-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-1'-[2-(morpholin-4-yl)ethyl]-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

6528-0431

Molecular Formula

C31H33N3O6 (C31 H33 N3 O6)

Compound Name

4'-hydroxy-3'-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-1'-[2-(morpholin-4-yl)ethyl]-1-(prop-2-en-1-yl)-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione

IUPAC name

4'-hydroxy-3'-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-1'-[2-(morpholin-4-yl)ethyl]-1-(prop-2-en-1-yl)-11'25'-tetrahydrospiro[indole-32'-pyrrole]-25'-dione

SMILES

Cc(cc(cc1)C(C(C(c(cccc2)c2N2CC=C)(C2=O)N(CCN2CCOCC2)C2=O)=C2O)=O)c1OCC=C

InChI

InChI=1S/C31H33N3O6/c1-4-12-33-24-9-7-6-8-23(24)31(30(33)38)26(27(35)22-10-11-25(21(3)20-22)40-17-5-2)28(36)29(37)34(31)14-13-32-15-18-39-19-16-32/h4-11,20,36H,1-2,12-19H2,3H3/t31-/m0/s1

InChI Key

XGKNKECPCSKTSA-HKBQPEDESA-N

MDL Number (MFCD)

MFCD06649031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.62

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

3.673

Distribution Coefficient, logD

3.666

Water Solubility, LogSw

-3.93

Polar Surface Area

79.353

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.30

6528-0431 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 6528-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6528-0431?
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What is the minimum amount of 6528-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6528-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6528-0431
  • 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 6528-0431 available by request