G585-1688 Screening compound: N-[(4-ethoxyphenyl)methyl]-1-[(1-methyl-1H-indol-5-yl)sulfonyl]piperidine-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound G585-1688
N-[(4-ethoxyphenyl)methyl]-1-[(1-methyl-1H-indol-5-yl)sulfonyl]piperidine-3-carboxamide
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
G585-1688
Molecular Formula
C24H29N3O4S (C24 H29 N3 O4 S)
Compound Name
N-[(4-ethoxyphenyl)methyl]-1-[(1-methyl-1H-indol-5-yl)sulfonyl]piperidine-3-carboxamide
IUPAC name
N-[(4-ethoxyphenyl)methyl]-1-[(1-methyl-1H-indol-5-yl)sulfonyl]piperidine-3-carboxamide
SMILES
CCOc1ccc(CNC(C(CCC2)CN2S(c(cc2)cc3c2n(C)cc3)(=O)=O)=O)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
455.58
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.926
Distribution Coefficient, logD
2.926
Water Solubility, LogSw
-3.40
Polar Surface Area
66.086
Acid Dissociation Constant (pKa)
12.95
Base Dissociation Constant (pKb)
-2.28
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
37.50
G585-1688 in Drug Discovery
Included in Screening Libraries
CNS targets activity set (6557 compounds)
CORONAVIRUS Library (20774 compounds)
PLpro Library (6343 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Others
- Epigenetic
References: we are preparing a list of scientific research reports with G585-1688 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)