1309-1262 Screening compound: N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}acetamide
Chemical Structure Depiction of ChemDiv screening compound 1309-1262
N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}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
1309-1262
Molecular Formula
C13H14Cl3N3OS (C13 H14 Cl3 N3 OS)
Compound Name
N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}acetamide
IUPAC name
N-{222-trichloro-1-[(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}acetamide
SMILES
CC(NC(C(Cl)(Cl)Cl)Nc(sc1c2CCCC1)c2C#N)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
366.7
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.245
Distribution Coefficient, logD
3.219
Water Solubility, LogSw
-4.11
Polar Surface Area
50.392
Acid Dissociation Constant (pKa)
8.62
Base Dissociation Constant (pKb)
-6.87
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
53.80
References: we are preparing a list of scientific research reports with 1309-1262 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)