P742-1113 Screening compound: 1-ethyl-1'-[3-(trifluoromethyl)benzenesulfonyl]-1,2-dihydrospiro[indole-3,4'-piperidin]-2-one
Chemical Structure Depiction of ChemDiv screening compound P742-1113
1-ethyl-1'-[3-(trifluoromethyl)benzenesulfonyl]-1,2-dihydrospiro[indole-3,4'-piperidin]-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
P742-1113
Molecular Formula
C21H21F3N2O3S (C21 H21 F3 N2 O3 S)
Compound Name
1-ethyl-1'-[3-(trifluoromethyl)benzenesulfonyl]-1,2-dihydrospiro[indole-3,4'-piperidin]-2-one
IUPAC name
1-ethyl-1'-[3-(trifluoromethyl)benzenesulfonyl]-12-dihydrospiro[indole-34'-piperidin]-2-one
SMILES
CCN(C(C1(CC2)CCN2S(c2cc(C(F)(F)F)ccc2)(=O)=O)=O)c2c1cccc2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
438.47
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.985
Distribution Coefficient, logD
3.985
Water Solubility, LogSw
-4.20
Polar Surface Area
47.143
Acid Dissociation Constant (pKa)
25.60
Base Dissociation Constant (pKb)
-0.64
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
38.10
P742-1113 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
Bcl2-PPI Inhibitors Library (12246 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
DGK Inhibitors Library (10558 compounds)
Indole Derivatives (10091 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Spiro Library (21655 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Inhibitors of beta-Catenin Signaling (7445 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
New Agro Library (44492 compounds)
SH2 PTB Focused Library (6188 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cancer
- Hemic and lymphatic
- Cancer
- Digestive system
- Hemic and lymphatic
- Skin
- Metabolic
- Immune system
- Cancer
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Kinases
- Cyclic compounds
- Mimetics
- Cyclic compounds
- Mimetics
- Cyclic compounds
- Agro
References: we are preparing a list of scientific research reports with P742-1113 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)