T651-0771 Screening compound: N-[8-(2H-1,3-benzodioxole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound T651-0771
N-[8-(2H-1,3-benzodioxole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-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
T651-0771
Molecular Formula
C21H21N3O4 (C21 H21 N3 O4)
Compound Name
N-[8-(2H-1,3-benzodioxole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
IUPAC name
N-[(1R5S)-8-(2H-13-benzodioxole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
SMILES
O=C(c1ccncc1)NC(C[C@H]1CC2)C[C@H]2N1C(c(cc1)cc2c1OCO2)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
379.42
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
0.826
Distribution Coefficient, logD
0.825
Water Solubility, LogSw
-1.23
Polar Surface Area
66.249
Acid Dissociation Constant (pKa)
12.78
Base Dissociation Constant (pKb)
4.39
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
38.10
T651-0771 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Bromodomain Modulators Library (5801 compounds)
CNS MPO Library (28609 compounds)
Ligand-Gated Ion Channels Library (3887 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Spiro Library (21655 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Anti-HIV1 Library (19540 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Nervous system
- Nervous system
- Eye
- Antiviral
- Infections
- Immune system
- Ion Channels
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Cyclic compounds
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with T651-0771 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)