C105-0478 Screening compound: 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N~1~-phenethylpropanamide
Chemical Structure Depiction of ChemDiv screening compound C105-0478
3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N~1~-phenethylpropanamide
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
C105-0478
Molecular Formula
C17H17N3O4S (C17 H17 N3 O4 S)
Compound Name
3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N~1~-phenethylpropanamide
IUPAC name
n/a
SMILES
O=C(CCS(c1cccc2nonc12)(=O)=O)NCCc1ccccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
359.41
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
1.960
Distribution Coefficient, logD
1.960
Water Solubility, LogSw
-2.45
Polar Surface Area
89.406
Acid Dissociation Constant (pKa)
13.63
Base Dissociation Constant (pKb)
-1.78
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
23.50
C105-0478 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 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 C105-0478 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)