K784-4352 Screening compound: ethyl 4-({N-[(4-methoxyphenyl)methyl]5-[(4-ethoxyphenyl)carbamoyl]-2-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate
Chemical Structure Depiction of ChemDiv screening compound K784-4352
ethyl 4-({N-[(4-methoxyphenyl)methyl]5-[(4-ethoxyphenyl)carbamoyl]-2-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate
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
K784-4352
Molecular Formula
C33H39FN2O7S (C33 H39 FN2 O7 S)
Compound Name
ethyl 4-({N-[(4-methoxyphenyl)methyl]5-[(4-ethoxyphenyl)carbamoyl]-2-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate
IUPAC name
ethyl 4-({N-[(4-methoxyphenyl)methyl]5-[(4-ethoxyphenyl)carbamoyl]-2-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate
SMILES
CCOC(C1CCC(CN(Cc(cc2)ccc2OC)S(c(cc(cc2)C(Nc(cc3)ccc3OCC)=O)c2F)(=O)=O)CC1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
626.75
Hydrogen Bond Acceptors Count
12.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
15.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
6.702
Distribution Coefficient, logD
6.697
Water Solubility, LogSw
-5.60
Polar Surface Area
90.047
Acid Dissociation Constant (pKa)
9.29
Base Dissociation Constant (pKb)
-2.18
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
39.40
K784-4352 in Drug Discovery
Included in Screening Libraries
3CLpro Library (4801 compounds)
CORONAVIRUS Library (20774 compounds)
Eccentric PPI Library (11937 compounds)
Protein-Protein Interaction Library (218420 compounds)
Regenerative Medicine Focused Library (23016 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
- PPI modulators
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with K784-4352 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)