6528-0295 Screening compound: 1-ethyl-3'-(3-fluoro-4-methylbenzoyl)-4'-hydroxy-1'-[(oxolan-2-yl)methyl]-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione

6528-0295 Screening compound: 1-ethyl-3'-(3-fluoro-4-methylbenzoyl)-4'-hydroxy-1'-[(oxolan-2-yl)methyl]-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione
6528-0295 Screening compound: 1-ethyl-3'-(3-fluoro-4-methylbenzoyl)-4'-hydroxy-1'-[(oxolan-2-yl)methyl]-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6528-0295
1-ethyl-3'-(3-fluoro-4-methylbenzoyl)-4'-hydroxy-1'-[(oxolan-2-yl)methyl]-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

6528-0295

Molecular Formula

C26H25FN2O5 (C26 H25 FN2 O5)

Compound Name

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

IUPAC name

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

SMILES

CCN(C(C1(C(C(c2cc(F)c(C)cc2)=O)=C2O)N(CC3OCCC3)C2=O)=O)c2c1cccc2

InChI

InChI=1S/C26H25FN2O5/c1-3-28-20-9-5-4-8-18(20)26(25(28)33)21(22(30)16-11-10-15(2)19(27)13-16)23(31)24(32)29(26)14-17-7-6-12-34-17/h4-5,8-11,13,17,31H,3,6-7,12,14H2,1-2H3

InChI Key

MDNNAQIPQOVBJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06646042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.332

Distribution Coefficient, logD

3.330

Water Solubility, LogSw

-3.77

Polar Surface Area

68.380

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.60

6528-0295 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 6528-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6528-0295?
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What is the minimum amount of 6528-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6528-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6528-0295
  • 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 6528-0295 available by request