1309-1251 Screening compound: ethyl 2-({2,2,2-trichloro-1-[(3-chlorophenyl)formamido]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of ChemDiv screening compound 1309-1251
ethyl 2-({2,2,2-trichloro-1-[(3-chlorophenyl)formamido]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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
1309-1251
Molecular Formula
C20H20Cl4N2O3S (C20 H20 Cl4 N2 O3 S)
Compound Name
ethyl 2-({2,2,2-trichloro-1-[(3-chlorophenyl)formamido]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
IUPAC name
ethyl 2-({222-trichloro-1-[(3-chlorophenyl)formamido]ethyl}amino)-4567-tetrahydro-1-benzothiophene-3-carboxylate
SMILES
CCOC(c1c(NC(C(Cl)(Cl)Cl)NC(c2cccc(Cl)c2)=O)sc2c1CCCC2)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
510.27
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
5.946
Distribution Coefficient, logD
5.158
Water Solubility, LogSw
-6.07
Polar Surface Area
53.918
Acid Dissociation Constant (pKa)
6.69
Base Dissociation Constant (pKb)
-8.10
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
40.00
References: we are preparing a list of scientific research reports with 1309-1251 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)