6214-0764 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-methoxyphenoxy)-N~1~-(2-thienylmethyl)acetamide
Chemical Structure Depiction of ChemDiv screening compound 6214-0764
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-methoxyphenoxy)-N~1~-(2-thienylmethyl)acetamide
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
6214-0764
Molecular Formula
C18H21NO5S2 (C18 H21 NO5 S2)
Compound Name
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-methoxyphenoxy)-N~1~-(2-thienylmethyl)acetamide
IUPAC name
N-(11-dioxo-1lambda6-thiolan-3-yl)-2-(4-methoxyphenoxy)-N-[(thiophen-2-yl)methyl]acetamide
SMILES
COc(cc1)ccc1OCC(N(Cc1cccs1)C(CC1)CS1(=O)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
395.5
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
1.707
Distribution Coefficient, logD
1.707
Water Solubility, LogSw
-2.32
Polar Surface Area
59.394
Acid Dissociation Constant (pKa)
20.41
Base Dissociation Constant (pKb)
-4.56
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
38.90
6214-0764 in Drug Discovery
Included in Screening Libraries
CNS MPO Library (28609 compounds)
Dark Chemical Matter Library (18430 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Nervous system
- Pool
References: we are preparing a list of scientific research reports with 6214-0764 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)