E676-0784 Screening compound: N-[2-(dimethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound E676-0784
N-[2-(dimethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
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
E676-0784
Molecular Formula
C18H21N3OS2 (C18 H21 N3 OS2)
Compound Name
N-[2-(dimethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
IUPAC name
N-[2-(dimethylamino)ethyl]-N-(6-ethyl-13-benzothiazol-2-yl)thiophene-2-carboxamide
SMILES
CCc(cc1)cc2c1nc(N(CCN(C)C)C(c1cccs1)=O)s2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HCl
Molecular Weight
359.52
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
4.698
Distribution Coefficient, logD
4.290
Water Solubility, LogSw
-4.40
Polar Surface Area
30.259
Acid Dissociation Constant (pKa)
23.76
Base Dissociation Constant (pKb)
7.59
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
33.30
E676-0784 in Drug Discovery
Included in Screening Libraries
Allosteric Kinases Inhibitors Library (23117 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Adenosine Receptors Targeted Library (19896 compounds)
Type II Kinase Inhibitors Library (6956 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Eye
- Cardiovascular
- Digestive system
- Hemic and lymphatic
- Endocrine
- Kinases
- GPCR
- Kinases
- Receptor's ligands
References: we are preparing a list of scientific research reports with E676-0784 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)