5591-0411 Screening compound: heptyl 5-(4-chlorobenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate
Chemical Structure Depiction of ChemDiv screening compound 5591-0411
heptyl 5-(4-chlorobenzenesulfonamido)-2-methyl-1-benzofuran-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
5591-0411
Molecular Formula
C23H26ClNO5S (C23 H26 ClNO5 S)
Compound Name
heptyl 5-(4-chlorobenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate
IUPAC name
heptyl 5-(4-chlorobenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate
SMILES
CCCCCCCOC(c1c(C)oc(cc2)c1cc2NS(c(cc1)ccc1Cl)(=O)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
463.98
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
11.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
6.980
Distribution Coefficient, logD
6.868
Water Solubility, LogSw
-6.56
Polar Surface Area
69.883
Acid Dissociation Constant (pKa)
7.93
Base Dissociation Constant (pKb)
-12.50
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
34.80
References: we are preparing a list of scientific research reports with 5591-0411 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)