6528-0144 Screening compound: 4'-hydroxy-3'-(4-methylbenzoyl)-1'-[(oxolan-2-yl)methyl]-1-propyl-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione

6528-0144 Screening compound: 4'-hydroxy-3'-(4-methylbenzoyl)-1'-[(oxolan-2-yl)methyl]-1-propyl-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione
6528-0144 Screening compound: 4'-hydroxy-3'-(4-methylbenzoyl)-1'-[(oxolan-2-yl)methyl]-1-propyl-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6528-0144
4'-hydroxy-3'-(4-methylbenzoyl)-1'-[(oxolan-2-yl)methyl]-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

6528-0144

Molecular Formula

C27H28N2O5 (C27 H28 N2 O5)

Compound Name

4'-hydroxy-3'-(4-methylbenzoyl)-1'-[(oxolan-2-yl)methyl]-1-propyl-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione

IUPAC name

4'-hydroxy-3'-(4-methylbenzoyl)-1'-[(oxolan-2-yl)methyl]-1-propyl-11'25'-tetrahydrospiro[indole-32'-pyrrole]-25'-dione

SMILES

CCCN(C(C1(C(C(c2ccc(C)cc2)=O)=C2O)N(CC3OCCC3)C2=O)=O)c2c1cccc2

InChI

InChI=1S/C27H28N2O5/c1-3-14-28-21-9-5-4-8-20(21)27(26(28)33)22(23(30)18-12-10-17(2)11-13-18)24(31)25(32)29(27)16-19-7-6-15-34-19/h4-5,8-13,19,31H,3,6-7,14-16H2,1-2H3

InChI Key

NYYUSSQQJNKMNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04448490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.523

Distribution Coefficient, logD

3.520

Water Solubility, LogSw

-3.64

Polar Surface Area

68.634

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.00

6528-0144 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 6528-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6528-0144?
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What is the minimum amount of 6528-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6528-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6528-0144
  • 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 6528-0144 available by request