T787-4673 Screening compound: 2-PROPIONYL-N-(2-PYRIDYL)-8-OXA-2-AZASPIRO[4.5]DECANE-4-CARBOXAMIDE
Chemical Structure Depiction of ChemDiv screening compound T787-4673
2-PROPIONYL-N-(2-PYRIDYL)-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
T787-4673
Molecular Formula
C17H23N3O3 (C17 H23 N3 O3)
Compound Name
2-PROPIONYL-N-(2-PYRIDYL)-8-OXA-2-AZASPIRO[4.5]DECANE-4-CARBOXAMIDE
IUPAC name
2-propanoyl-N-(pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILES
CCC(N(C1)CC2(CCOCC2)C1C(Nc1ncccc1)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
317.39
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
1.155
Distribution Coefficient, logD
1.152
Water Solubility, LogSw
-2.12
Polar Surface Area
57.399
Acid Dissociation Constant (pKa)
9.70
Base Dissociation Constant (pKb)
4.46
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
58.82
T787-4673 in Drug Discovery
Included in Screening Libraries
Bcl2-PPI Inhibitors Library (12246 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Ligand-Gated Ion Channels Library (3887 compounds)
Protein Kinases Inhibitors Library (36801 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)
MDM2-p53 interaction inhibitors Library (21687 compounds)
SH2 PTB Focused Library (6188 compounds)
Included in 1.7M Stock Database
- Cancer
- Hemic and lymphatic
- Nervous system
- Eye
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Cancer
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Ion Channels
- Kinases
- Cyclic compounds
- Cyclic compounds
References: we are preparing a list of scientific research reports with T787-4673 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)