D051-0096 Screening compound: 3,5-dichloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-methoxy-N~1~-[(3-methyl-2-thienyl)methyl]benzamide
Chemical Structure Depiction of ChemDiv screening compound D051-0096
3,5-dichloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-methoxy-N~1~-[(3-methyl-2-thienyl)methyl]benzamide
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
D051-0096
Molecular Formula
C18H19Cl2NO4S2 (C18 H19 Cl2 NO4 S2)
Compound Name
3,5-dichloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-methoxy-N~1~-[(3-methyl-2-thienyl)methyl]benzamide
IUPAC name
35-dichloro-N-(11-dioxo-1lambda6-thiolan-3-yl)-4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILES
Cc1c(CN(C(CC2)CS2(=O)=O)C(c(cc2Cl)cc(Cl)c2OC)=O)scc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
448.39
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.670
Distribution Coefficient, logD
3.670
Water Solubility, LogSw
-4.01
Polar Surface Area
52.595
Acid Dissociation Constant (pKa)
20.25
Base Dissociation Constant (pKb)
-7.90
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
38.89
References: we are preparing a list of scientific research reports with D051-0096 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)