E587-0445 Screening compound: 2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of ChemDiv screening compound E587-0445
2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]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
E587-0445
Molecular Formula
C25H28FN3O2S (C25 H28 FN3 O2 S)
Compound Name
2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide
IUPAC name
2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide
SMILES
O=C(CSc1cn(CC(N2CCCCCC2)=O)c2c1cccc2)NCc(cc1)ccc1F
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
453.58
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.740
Distribution Coefficient, logD
3.740
Water Solubility, LogSw
-3.83
Polar Surface Area
42.894
Acid Dissociation Constant (pKa)
12.73
Base Dissociation Constant (pKb)
3.46
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
36.00
References: we are preparing a list of scientific research reports with E587-0445 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)