6528-0413 Screening compound: 1'-[3-(dimethylamino)propyl]-1-ethyl-4'-hydroxy-3'-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione

6528-0413 Screening compound: 1'-[3-(dimethylamino)propyl]-1-ethyl-4'-hydroxy-3'-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione
6528-0413 Screening compound: 1'-[3-(dimethylamino)propyl]-1-ethyl-4'-hydroxy-3'-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6528-0413
1'-[3-(dimethylamino)propyl]-1-ethyl-4'-hydroxy-3'-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-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

6528-0413

Molecular Formula

C29H33N3O5 (C29 H33 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

CCN(C(C1(C(C(c(cc2)cc(C)c2OCC=C)=O)=C2O)N(CCCN(C)C)C2=O)=O)c2c1cccc2

InChI

InChI=1S/C29H33N3O5/c1-6-17-37-23-14-13-20(18-19(23)3)25(33)24-26(34)27(35)32(16-10-15-30(4)5)29(24)21-11-8-9-12-22(21)31(7-2)28(29)36/h6,8-9,11-14,18,34H,1,7,10,15-17H2,2-5H3/t29-/m0/s1

InChI Key

BNYUDKILSAPDOV-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD06645825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.841

Distribution Coefficient, logD

1.971

Water Solubility, LogSw

-3.92

Polar Surface Area

71.346

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

9.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

6528-0413 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
  • Cyclic compounds
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with 6528-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6528-0413?
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What is the minimum amount of 6528-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6528-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6528-0413
  • 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 6528-0413 available by request