T787-6301 Screening compound: 2-cyclohexanecarbonyl-N-[2-(pyridin-4-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound T787-6301
2-cyclohexanecarbonyl-N-[2-(pyridin-4-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-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
T787-6301
Molecular Formula
C23H33N3O3 (C23 H33 N3 O3)
Compound Name
2-cyclohexanecarbonyl-N-[2-(pyridin-4-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
IUPAC name
2-cyclohexanecarbonyl-N-[2-(pyridin-4-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILES
O=C(C(CN(C1)C(C2CCCCC2)=O)C11CCOCC1)NCCc1ccncc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
399.53
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
1.430
Distribution Coefficient, logD
1.385
Water Solubility, LogSw
-1.66
Polar Surface Area
58.824
Acid Dissociation Constant (pKa)
13.61
Base Dissociation Constant (pKb)
6.44
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
69.60
T787-6301 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Bcl2-PPI Inhibitors Library (12246 compounds)
CNS BBB Library (22607 compounds)
GPCR Targeted Library (31838 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Spiro Library (21655 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Inhibitors of beta-Catenin Signaling (7445 compounds)
Ion Channels Focused Library (26372 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)
SH2 PTB Focused Library (6188 compounds)
Included in 1.7M Stock Database
- Cancer
- Hemic and lymphatic
- Nervous system
- Nervous system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Nervous system
- Cardiovascular
- Cancer
- PPI modulators
- Receptor's ligands
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- GPCR
- Ion Channels
- Mimetics
- Cyclic compounds
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with T787-6301 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)