8017-3453 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-ethoxy-4-fluorobenzene-1-sulfonamide
Chemical Structure Depiction of ChemDiv screening compound 8017-3453
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-ethoxy-4-fluorobenzene-1-sulfonamide
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
8017-3453
Molecular Formula
C16H16FNO5S (C16 H16 FNO5 S)
Compound Name
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-ethoxy-4-fluorobenzene-1-sulfonamide
IUPAC name
N-[(2H-13-benzodioxol-5-yl)methyl]-3-ethoxy-4-fluorobenzene-1-sulfonamide
SMILES
CCOc(cc(cc1)S(NCc(cc2)cc3c2OCO3)(=O)=O)c1F
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
353.37
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.187
Distribution Coefficient, logD
3.187
Water Solubility, LogSw
-3.37
Polar Surface Area
66.322
Acid Dissociation Constant (pKa)
11.11
Base Dissociation Constant (pKb)
-3.33
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
25.00
8017-3453 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Anti-Aging Library (44940 compounds)
Anti-Inflammatory Library (24602 compounds)
Anticancer Library (62698 compounds)
Antimitotic Tubulin Library (17355 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Immune system
- Cancer
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Epigenetic
References: we are preparing a list of scientific research reports with 8017-3453 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)