8017-0646 Screening compound: ethyl 6-bromo-5-hydroxy-2-[(4-phenylpiperazino)methyl]-1-benzofuran-3-carboxylate
Chemical Structure Depiction of ChemDiv screening compound 8017-0646
ethyl 6-bromo-5-hydroxy-2-[(4-phenylpiperazino)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
8017-0646
Molecular Formula
C22H23BrN2O4 (C22 H23 BrN2 O4)
Compound Name
ethyl 6-bromo-5-hydroxy-2-[(4-phenylpiperazino)methyl]-1-benzofuran-3-carboxylate
IUPAC name
ethyl 6-bromo-5-hydroxy-2-[(4-phenylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate
SMILES
CCOC(c(c1c2)c(CN(CC3)CCN3c3ccccc3)oc1cc(Br)c2O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HCl
Molecular Weight
459.34
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.199
Distribution Coefficient, logD
3.527
Water Solubility, LogSw
-3.92
Polar Surface Area
52.229
Acid Dissociation Constant (pKa)
7.93
Base Dissociation Constant (pKb)
7.97
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
31.82
8017-0646 in Drug Discovery
Included in Screening Libraries
Included in 1.7M Stock Database
- Nervous system
References: we are preparing a list of scientific research reports with 8017-0646 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)