6528-0063 Screening compound: 1'-[3-(dimethylamino)propyl]-3'-(4-ethoxybenzoyl)-4'-hydroxy-1-propyl-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione

6528-0063 Screening compound: 1'-[3-(dimethylamino)propyl]-3'-(4-ethoxybenzoyl)-4'-hydroxy-1-propyl-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione
6528-0063 Screening compound: 1'-[3-(dimethylamino)propyl]-3'-(4-ethoxybenzoyl)-4'-hydroxy-1-propyl-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6528-0063
1'-[3-(dimethylamino)propyl]-3'-(4-ethoxybenzoyl)-4'-hydroxy-1-propyl-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

6528-0063

Molecular Formula

C28H33N3O5 (C28 H33 N3 O5)

Compound Name

1'-[3-(dimethylamino)propyl]-3'-(4-ethoxybenzoyl)-4'-hydroxy-1-propyl-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione

IUPAC name

1'-[3-(dimethylamino)propyl]-3'-(4-ethoxybenzoyl)-4'-hydroxy-1-propyl-11'25'-tetrahydrospiro[indole-32'-pyrrole]-25'-dione

SMILES

CCCN(C(C1(C(C(c(cc2)ccc2OCC)=O)=C2O)N(CCCN(C)C)C2=O)=O)c2c1cccc2

InChI

InChI=1S/C28H33N3O5/c1-5-16-30-22-11-8-7-10-21(22)28(27(30)35)23(24(32)19-12-14-20(15-13-19)36-6-2)25(33)26(34)31(28)18-9-17-29(3)4/h7-8,10-15,33H,5-6,9,16-18H2,1-4H3/t28-/m0/s1

InChI Key

AHOUHGZWXFSLHP-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD04446890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.59

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

3.350

Distribution Coefficient, logD

1.480

Water Solubility, LogSw

-3.67

Polar Surface Area

71.219

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

9.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

6528-0063 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)

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 6528-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6528-0063?
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What is the minimum amount of 6528-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6528-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6528-0063
  • 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 6528-0063 available by request