T651-0004 Screening compound: N-[8-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
Chemical Structure Depiction of ChemDiv screening compound T651-0004
N-[8-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
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
T651-0004
Molecular Formula
C22H23FN2O5S (C22 H23 FN2 O5 S)
Compound Name
N-[8-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
IUPAC name
N-[(1R5S)-8-(23-dihydro-14-benzodioxine-6-sulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
SMILES
O=C(c(cc1)ccc1F)NC(C[C@H]1CC2)C[C@H]2N1S(c(cc1)cc2c1OCCO2)(=O)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
446.5
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
1.518
Distribution Coefficient, logD
1.518
Water Solubility, LogSw
-2.61
Polar Surface Area
72.145
Acid Dissociation Constant (pKa)
12.57
Base Dissociation Constant (pKb)
-1.62
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
40.90
T651-0004 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
Bcl2-PPI Inhibitors Library (12246 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Bromodomain Modulators Library (5801 compounds)
GPCR Targeted Library (31838 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)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cancer
- Hemic and lymphatic
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Antiviral
- Infections
- Immune system
- PPI modulators
- Receptor's ligands
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- GPCR
- Mimetics
- Cyclic compounds
- Mimetics
- Cyclic compounds
- Agro
References: we are preparing a list of scientific research reports with T651-0004 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)