C697-0318 Screening compound: 1-({5-[(E)-2-(dimethylamino)-1-ethenyl]-3-methyl-4-isoxazolyl}sulfonyl)-N-(2-fluorophenyl)-3-piperidinecarboxamide
Chemical Structure Depiction of ChemDiv screening compound C697-0318
1-({5-[(E)-2-(dimethylamino)-1-ethenyl]-3-methyl-4-isoxazolyl}sulfonyl)-N-(2-fluorophenyl)-3-piperidinecarboxamide
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
C697-0318
Molecular Formula
C20H25FN4O4S (C20 H25 FN4 O4 S)
Compound Name
1-({5-[(E)-2-(dimethylamino)-1-ethenyl]-3-methyl-4-isoxazolyl}sulfonyl)-N-(2-fluorophenyl)-3-piperidinecarboxamide
IUPAC name
n/a
SMILES
Cc1noc(/C=C/N(C)C)c1S(N(CCC1)CC1C(Nc(cccc1)c1F)=O)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
436.51
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
1.140
Distribution Coefficient, logD
1.136
Water Solubility, LogSw
-2.30
Polar Surface Area
79.562
Acid Dissociation Constant (pKa)
9.57
Base Dissociation Constant (pKb)
4.57
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
40.00
C697-0318 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Antiviral Library (67538 compounds)
CNS targets activity set (6557 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- 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 C697-0318 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)