J057-0055 Screening compound: 1-[2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonyl]azepane
Chemical Structure Depiction of ChemDiv screening compound J057-0055
1-[2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonyl]azepane
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
J057-0055
Molecular Formula
C21H23N3O4S (C21 H23 N3 O4 S)
Compound Name
1-[2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonyl]azepane
IUPAC name
1-[2-methoxy-5-(5-phenyl-134-oxadiazol-2-yl)benzenesulfonyl]azepane
SMILES
COc(ccc(-c1nnc(-c2ccccc2)o1)c1)c1S(N1CCCCCC1)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
413.5
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.851
Distribution Coefficient, logD
3.851
Water Solubility, LogSw
-3.96
Polar Surface Area
70.155
Acid Dissociation Constant (pKa)
27.74
Base Dissociation Constant (pKb)
-4.81
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
33.30
J057-0055 in Drug Discovery
Included in Screening Libraries
Protein-Protein Interaction Library (218420 compounds)
SmartTM Library (51161 compounds)
Included in 1.7M Stock Database
- PPI modulators
References: we are preparing a list of scientific research reports with J057-0055 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)