E676-2787 Screening compound: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-phenoxyacetamide
Chemical Structure Depiction of ChemDiv screening compound E676-2787
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-phenoxyacetamide
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
E676-2787
Molecular Formula
C19H19F2N3O2S (C19 H19 F2 N3 O2 S)
Compound Name
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-phenoxyacetamide
IUPAC name
N-(46-difluoro-13-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-phenoxyacetamide
SMILES
CN(C)CCN(C(COc1ccccc1)=O)c1nc(c(F)cc(F)c2)c2s1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HCl
Molecular Weight
391.44
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.870
Distribution Coefficient, logD
3.111
Water Solubility, LogSw
-3.92
Polar Surface Area
36.983
Acid Dissociation Constant (pKa)
23.93
Base Dissociation Constant (pKb)
8.08
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
26.30
E676-2787 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
CNS BBB Library (22607 compounds)
Cardiovascular Library (22201 compounds)
Adenosine Receptors Targeted Library (19896 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Nervous system
- Cardiovascular
- Eye
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Eye
- Cardiovascular
- GPCR
- Ion Channels
- GPCR
- Receptor's ligands
- Receptor's ligands
- Agro
References: we are preparing a list of scientific research reports with E676-2787 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)