E677-0403 Screening compound: N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound E677-0403
N-[3-(dimethylamino)propyl]-N-(6-fluoro-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
E677-0403
Molecular Formula
C17H18FN3OS2 (C17 H18 FN3 OS2)
Compound Name
N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
IUPAC name
N-[3-(dimethylamino)propyl]-N-(6-fluoro-13-benzothiazol-2-yl)thiophene-2-carboxamide
SMILES
CN(C)CCCN(C(c1cccs1)=O)c1nc(ccc(F)c2)c2s1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HCl
Molecular Weight
363.48
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
3.904
Distribution Coefficient, logD
1.756
Water Solubility, LogSw
-3.85
Polar Surface Area
30.259
Acid Dissociation Constant (pKa)
25.30
Base Dissociation Constant (pKb)
9.54
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
29.40
E677-0403 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Human GPCR Annotated Library (5539 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 E677-0403 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)