8009-9265 Screening compound: quinolin-8-yl 3-(azepane-1-sulfonyl)benzoate
Chemical Structure Depiction of ChemDiv screening compound 8009-9265
quinolin-8-yl 3-(azepane-1-sulfonyl)benzoate
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
8009-9265
Molecular Formula
C22H22N2O4S (C22 H22 N2 O4 S)
Compound Name
quinolin-8-yl 3-(azepane-1-sulfonyl)benzoate
IUPAC name
quinolin-8-yl 3-(azepane-1-sulfonyl)benzoate
SMILES
O=C(c1cccc(S(N2CCCCCC2)(=O)=O)c1)Oc1cccc2cccnc12
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
410.49
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.813
Distribution Coefficient, logD
3.813
Water Solubility, LogSw
-3.83
Polar Surface Area
62.278
Acid Dissociation Constant (pKa)
27.74
Base Dissociation Constant (pKb)
4.33
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
27.30
8009-9265 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS Annotated Library (688 compounds)
CNS targets activity set (6557 compounds)
Human GPCR Annotated Library (5539 compounds)
Selective Target Activity Profiling Library (14702 compounds)
Therapeutical Diversity Annotated Library (7563 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
References: we are preparing a list of scientific research reports with 8009-9265 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)