T787-4859 Screening compound: 2-[4-(4-fluorophenyl)-4-oxobutanoyl]-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound T787-4859
2-[4-(4-fluorophenyl)-4-oxobutanoyl]-N,N-dimethyl-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
T787-4859
Molecular Formula
C21H27FN2O4 (C21 H27 FN2 O4)
Compound Name
2-[4-(4-fluorophenyl)-4-oxobutanoyl]-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
IUPAC name
2-[4-(4-fluorophenyl)-4-oxobutanoyl]-NN-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILES
CN(C)C(C(CN(C1)C(CCC(c(cc2)ccc2F)=O)=O)C11CCOCC1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
390.45
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
0.674
Distribution Coefficient, logD
0.674
Water Solubility, LogSw
-1.45
Polar Surface Area
53.669
Acid Dissociation Constant (pKa)
20.69
Base Dissociation Constant (pKb)
6.00
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
57.10
T787-4859 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Bcl2-PPI Inhibitors Library (12246 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS MPO Library (28609 compounds)
GPCR Targeted Library (31838 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Regenerative Medicine Focused Library (23016 compounds)
Soluble Diversity Library (15920 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)
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
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
- Cancer
- PPI modulators
- Receptor's ligands
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- GPCR
- Mimetics
- Cyclic compounds
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with T787-4859 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)