6528-0038 Screening compound: 1'-[2-(dimethylamino)ethyl]-3'-(4-fluorobenzoyl)-4'-hydroxy-1-(prop-2-en-1-yl)-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione

6528-0038 Screening compound: 1'-[2-(dimethylamino)ethyl]-3'-(4-fluorobenzoyl)-4'-hydroxy-1-(prop-2-en-1-yl)-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione
6528-0038 Screening compound: 1'-[2-(dimethylamino)ethyl]-3'-(4-fluorobenzoyl)-4'-hydroxy-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 6528-0038
1'-[2-(dimethylamino)ethyl]-3'-(4-fluorobenzoyl)-4'-hydroxy-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

6528-0038

Molecular Formula

C25H24FN3O4 (C25 H24 FN3 O4)

Compound Name

1'-[2-(dimethylamino)ethyl]-3'-(4-fluorobenzoyl)-4'-hydroxy-1-(prop-2-en-1-yl)-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione

IUPAC name

1'-[2-(dimethylamino)ethyl]-3'-(4-fluorobenzoyl)-4'-hydroxy-1-(prop-2-en-1-yl)-11'25'-tetrahydrospiro[indole-32'-pyrrole]-25'-dione

SMILES

CN(C)CCN(C(c(cccc1)c1N1CC=C)(C(C(c(cc2)ccc2F)=O)=C2O)C1=O)C2=O

InChI

InChI=1S/C25H24FN3O4/c1-4-13-28-19-8-6-5-7-18(19)25(24(28)33)20(21(30)16-9-11-17(26)12-10-16)22(31)23(32)29(25)15-14-27(2)3/h4-12,31H,1,13-15H2,2-3H3/t25-/m0/s1

InChI Key

PHLACLYELRURET-VWLOTQADSA-N

MDL Number (MFCD)

MFCD04446886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.689

Distribution Coefficient, logD

2.196

Water Solubility, LogSw

-3.24

Polar Surface Area

64.095

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

7.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

6528-0038 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Akt-Targeted Library (14764 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Ion Channels
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6528-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6528-0038?
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What is the minimum amount of 6528-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6528-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6528-0038
  • 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 6528-0038 available by request