L444-0298 Screening compound: N-cyclohexyl-1-[4-(3-methoxybenzenesulfonamido)benzoyl]piperidine-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound L444-0298
N-cyclohexyl-1-[4-(3-methoxybenzenesulfonamido)benzoyl]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
L444-0298
Molecular Formula
C26H33N3O5S (C26 H33 N3 O5 S)
Compound Name
N-cyclohexyl-1-[4-(3-methoxybenzenesulfonamido)benzoyl]piperidine-3-carboxamide
IUPAC name
N-cyclohexyl-1-[4-(3-methoxybenzenesulfonamido)benzoyl]piperidine-3-carboxamide
SMILES
COc1cccc(S(Nc(cc2)ccc2C(N(CCC2)CC2C(NC2CCCCC2)=O)=O)(=O)=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
CF3COOH
Molecular Weight
499.63
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.307
Distribution Coefficient, logD
2.843
Water Solubility, LogSw
-3.85
Polar Surface Area
89.152
Acid Dissociation Constant (pKa)
7.12
Base Dissociation Constant (pKb)
4.16
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
46.20
L444-0298 in Drug Discovery
Included in Screening Libraries
Allosteric Kinases Inhibitors Library (23117 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Kinases
References: we are preparing a list of scientific research reports with L444-0298 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)