8019-5357 Screening compound: 5-[(6-bromo-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
Chemical Structure Depiction of ChemDiv screening compound 8019-5357
5-[(6-bromo-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-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
8019-5357
Molecular Formula
C14H13BrNO7 (C14 H13 BrNO7)
Compound Name
5-[(6-bromo-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
IUPAC name
5-[(6-bromo-47-dimethoxy-2H-13-benzodioxol-5-yl)methyl]-45-dihydro-12-oxazole-3-carboxylate
SMILES
COc(c1c2OCO1)c(CC(C1)ON=C1C([O-])=O)c(Br)c2OC
InChI Key
Chemical and Physical Properties
Saltdata
Na+
Molecular Weight
387.16
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
2.284
Distribution Coefficient, logD
2.284
Water Solubility, LogSw
-2.01
Polar Surface Area
83.401
Acid Dissociation Constant (pKa)
21.78
Base Dissociation Constant (pKb)
-2.08
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
42.90
References: we are preparing a list of scientific research reports with 8019-5357 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)