K284-4772 Screening compound: 4-{[2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of ChemDiv screening compound K284-4772
4-{[2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-[(furan-2-yl)methyl]cyclohexane-1-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
K284-4772
Molecular Formula
C31H34N4O5S (C31 H34 N4 O5 S)
Compound Name
4-{[2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide
IUPAC name
4-{[2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-34-dihydroquinazolin-3-yl]methyl}-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide
SMILES
CCOc(cc1)ccc1NC(CSC(N1CC(CC2)CCC2C(NCc2ccco2)=O)=Nc(cccc2)c2C1=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
574.7
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
13.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
5.040
Distribution Coefficient, logD
5.040
Water Solubility, LogSw
-4.56
Polar Surface Area
88.398
Acid Dissociation Constant (pKa)
12.38
Base Dissociation Constant (pKb)
0.56
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
35.50
K284-4772 in Drug Discovery
Included in Screening Libraries
CORONAVIRUS Library (20774 compounds)
Eccentric PPI Library (11937 compounds)
GPCR Targeted Library (31838 compounds)
PLpro Library (6343 compounds)
Protein-Protein Interaction Library (218420 compounds)
Regenerative Medicine Focused Library (23016 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Antiviral
- Infections
- Immune system
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
- PPI modulators
- Receptor's ligands
- PPI modulators
- Cyclic compounds
- GPCR
References: we are preparing a list of scientific research reports with K284-4772 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)