K284-6116 Screening compound: 2-({3-[2-(cyclohex-1-en-1-yl)ethyl]-6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(2-methoxyphenyl)butanamide
Chemical Structure Depiction of ChemDiv screening compound K284-6116
2-({3-[2-(cyclohex-1-en-1-yl)ethyl]-6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(2-methoxyphenyl)butanamide
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
K284-6116
Molecular Formula
C29H35N3O5S (C29 H35 N3 O5 S)
Compound Name
2-({3-[2-(cyclohex-1-en-1-yl)ethyl]-6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(2-methoxyphenyl)butanamide
IUPAC name
2-({3-[2-(cyclohex-1-en-1-yl)ethyl]-67-dimethoxy-4-oxo-34-dihydroquinazolin-2-yl}sulfanyl)-N-(2-methoxyphenyl)butanamide
SMILES
CCC(C(Nc(cccc1)c1OC)=O)SC(N1CCC2=CCCCC2)=Nc(cc(c(OC)c2)OC)c2C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
537.68
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
12.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
5.838
Distribution Coefficient, logD
5.838
Water Solubility, LogSw
-5.38
Polar Surface Area
71.498
Acid Dissociation Constant (pKa)
11.13
Base Dissociation Constant (pKb)
0.42
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
41.40
K284-6116 in Drug Discovery
Included in Screening Libraries
3CLpro Library (4801 compounds)
3D-Pharmacophore Based Diversity Library (49813 compounds)
CORONAVIRUS Library (20774 compounds)
Eccentric PPI Library (11937 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- PPI modulators
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with K284-6116 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)