K784-3088 Screening compound: (1S,2R,5S,7R)-N~2~-cyclohexyl-N~6~-(4-fluorophenyl)-3-isopentyl-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
Chemical Structure Depiction of ChemDiv screening compound K784-3088
(1S,2R,5S,7R)-N~2~-cyclohexyl-N~6~-(4-fluorophenyl)-3-isopentyl-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
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
K784-3088
Molecular Formula
C28H36FN3O4 (C28 H36 FN3 O4)
Compound Name
(1S,2R,5S,7R)-N~2~-cyclohexyl-N~6~-(4-fluorophenyl)-3-isopentyl-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
IUPAC name
(5S7R)-N2-cyclohexyl-N6-(4-fluorophenyl)-7-methyl-3-(3-methylbutyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide
SMILES
CC(C)CCN(C([C@]1([C@H]2C3C(Nc(cc4)ccc4F)=O)O[C@@]3(C)C=C1)C(NC1CCCCC1)=O)C2=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
497.61
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
4.482
Distribution Coefficient, logD
4.348
Water Solubility, LogSw
-4.18
Polar Surface Area
71.344
Acid Dissociation Constant (pKa)
7.84
Base Dissociation Constant (pKb)
-0.09
Number of Chiral Centers
5.00
Percent sp3 carbon bonding
60.70
K784-3088 in Drug Discovery
Included in Screening Libraries
Autophagy-Targeted Library (4564 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Cyclic Ugi PPI Library (9586 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
Protein-Protein Interaction Library (218420 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
Spiro Library (21655 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- Infections
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Cyclic compounds
- Mimetics
- Cyclic compounds
- Cyclic compounds
- Mimetics
- Proteases
References: we are preparing a list of scientific research reports with K784-3088 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of K784-3088, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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)