6528-0319 Screening compound: 3'-(3-FLUORO-4-METHYLBENZOYL)-4'-HYDROXY-1'-[(OXOLAN-2-YL)METHYL]-1-(PROP-2-EN-1-YL)-1,1',2,5'-TETRAHYDROSPIRO[INDOLE-3,2'-PYRROLE]-2,5'-DIONE

6528-0319 Screening compound: 3'-(3-FLUORO-4-METHYLBENZOYL)-4'-HYDROXY-1'-[(OXOLAN-2-YL)METHYL]-1-(PROP-2-EN-1-YL)-1,1',2,5'-TETRAHYDROSPIRO[INDOLE-3,2'-PYRROLE]-2,5'-DIONE
6528-0319 Screening compound: 3'-(3-FLUORO-4-METHYLBENZOYL)-4'-HYDROXY-1'-[(OXOLAN-2-YL)METHYL]-1-(PROP-2-EN-1-YL)-1,1',2,5'-TETRAHYDROSPIRO[INDOLE-3,2'-PYRROLE]-2,5'-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 6528-0319
3'-(3-FLUORO-4-METHYLBENZOYL)-4'-HYDROXY-1'-[(OXOLAN-2-YL)METHYL]-1-(PROP-2-EN-1-YL)-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

6528-0319

Molecular Formula

C27H25FN2O5 (C27 H25 FN2 O5)

Compound Name

3'-(3-FLUORO-4-METHYLBENZOYL)-4'-HYDROXY-1'-[(OXOLAN-2-YL)METHYL]-1-(PROP-2-EN-1-YL)-1,1',2,5'-TETRAHYDROSPIRO[INDOLE-3,2'-PYRROLE]-2,5'-DIONE

IUPAC name

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

SMILES

Cc(ccc(C(C(C(c(cccc1)c1N1CC=C)(C1=O)N(CC1OCCC1)C1=O)=C1O)=O)c1)c1F

InChI

InChI=1S/C27H25FN2O5/c1-3-12-29-21-9-5-4-8-19(21)27(26(29)34)22(23(31)17-11-10-16(2)20(28)14-17)24(32)25(33)30(27)15-18-7-6-13-35-18/h3-5,8-11,14,18,32H,1,6-7,12-13,15H2,2H3

InChI Key

WUHMWYPTZKHWBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04446864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.5

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

3.518

Distribution Coefficient, logD

3.515

Water Solubility, LogSw

-3.84

Polar Surface Area

68.634

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.63

6528-0319 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)

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 6528-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6528-0319?
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What is the minimum amount of 6528-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6528-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6528-0319
  • 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 6528-0319 available by request