T854-0306 Screening compound: N-(cyclohexylmethyl)-1-methyl-2-oxo-decahydroquinoline-4a-carboxamide
Chemical Structure Depiction of ChemDiv screening compound T854-0306
N-(cyclohexylmethyl)-1-methyl-2-oxo-decahydroquinoline-4a-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
T854-0306
Molecular Formula
C18H30N2O2 (C18 H30 N2 O2)
Compound Name
N-(cyclohexylmethyl)-1-methyl-2-oxo-decahydroquinoline-4a-carboxamide
IUPAC name
(4aR8aR)-N-(cyclohexylmethyl)-1-methyl-2-oxo-decahydroquinoline-4a-carboxamide
SMILES
CN([C@@H](CCCC1)[C@]1(CC1)C(NCC2CCCCC2)=O)C1=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
306.45
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
2.523
Distribution Coefficient, logD
2.523
Water Solubility, LogSw
-2.41
Polar Surface Area
40.807
Acid Dissociation Constant (pKa)
13.44
Base Dissociation Constant (pKb)
0.80
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
88.90
T854-0306 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Inhibitors of beta-Catenin Signaling (7445 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
SH2 PTB Focused Library (6188 compounds)
Included in 1.7M Stock Database
- 3D
- Cyclic compounds
- PPI modulators
- PPI modulators
- Cancer
References: we are preparing a list of scientific research reports with T854-0306 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)