K786-3268 Screening compound: 3'-benzoyl-1-[(2,5-dimethylphenyl)methyl]-4'-(4-fluorophenyl)-1'-methyl-1,2-dihydrospiro[indole-3,2'-pyrrolidin]-2-one
Chemical Structure Depiction of ChemDiv screening compound K786-3268
3'-benzoyl-1-[(2,5-dimethylphenyl)methyl]-4'-(4-fluorophenyl)-1'-methyl-1,2-dihydrospiro[indole-3,2'-pyrrolidin]-2-one
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
K786-3268
Molecular Formula
C34H31FN2O2 (C34 H31 FN2 O2)
Compound Name
3'-benzoyl-1-[(2,5-dimethylphenyl)methyl]-4'-(4-fluorophenyl)-1'-methyl-1,2-dihydrospiro[indole-3,2'-pyrrolidin]-2-one
IUPAC name
3'-benzoyl-1-[(25-dimethylphenyl)methyl]-4'-(4-fluorophenyl)-1'-methyl-12-dihydrospiro[indole-32'-pyrrolidin]-2-one
SMILES
Cc1cc(CN(C(C2(C3C(c4ccccc4)=O)N(C)CC3c(cc3)ccc3F)=O)c3c2cccc3)c(C)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
518.63
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
7.172
Distribution Coefficient, logD
7.172
Water Solubility, LogSw
-5.56
Polar Surface Area
31.767
Acid Dissociation Constant (pKa)
16.63
Base Dissociation Constant (pKb)
1.73
Number of Chiral Centers
3.00
Percent sp3 carbon bonding
23.50
K786-3268 in Drug Discovery
Included in Screening Libraries
Antiviral HBV Library (10007 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
GPCR Targeted Library (31838 compounds)
Hsp90-Targeted Library (11355 compounds)
Neurotransmitter Transporter Inhibitors Library (11024 compounds)
Protein-Protein Interaction Library (218420 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
Spiro Library (21655 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Cancer
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Immune system
- Nervous system
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- GPCR
- GPCR
- Ion Channels
- Proteases
- Receptor's ligands
- PPI modulators
- PPI modulators
- Cyclic compounds
- Cyclic compounds
References: we are preparing a list of scientific research reports with K786-3268 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)