6528-0071 Screening compound: 1-butyl-1'-[3-(dimethylamino)propyl]-3'-(4-ethoxybenzoyl)-4'-hydroxy-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione

6528-0071 Screening compound: 1-butyl-1'-[3-(dimethylamino)propyl]-3'-(4-ethoxybenzoyl)-4'-hydroxy-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione
6528-0071 Screening compound: 1-butyl-1'-[3-(dimethylamino)propyl]-3'-(4-ethoxybenzoyl)-4'-hydroxy-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6528-0071
1-butyl-1'-[3-(dimethylamino)propyl]-3'-(4-ethoxybenzoyl)-4'-hydroxy-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

6528-0071

Molecular Formula

C29H35N3O5 (C29 H35 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C29H35N3O5/c1-5-7-18-31-23-12-9-8-11-22(23)29(28(31)36)24(25(33)20-13-15-21(16-14-20)37-6-2)26(34)27(35)32(29)19-10-17-30(3)4/h8-9,11-16,34H,5-7,10,17-19H2,1-4H3/t29-/m0/s1

InChI Key

CCWXUTFHCLZSCO-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD06642788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.824

Distribution Coefficient, logD

1.955

Water Solubility, LogSw

-3.75

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

41.40

6528-0071 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 6528-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6528-0071?
Check Price and Availability of 6528-0071, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6528-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6528-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6528-0071
  • 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 6528-0071 available by request