V014-9686 Screening compound: 5-(1,3-benzodioxol-5-yl)-3-methyl-N~4~-[3-(2-methylpiperidino)propyl]-4-isoxazolecarboxamide
Chemical Structure Depiction of ChemDiv screening compound V014-9686
5-(1,3-benzodioxol-5-yl)-3-methyl-N~4~-[3-(2-methylpiperidino)propyl]-4-isoxazolecarboxamide
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
V014-9686
Molecular Formula
C21H27N3O4 (C21 H27 N3 O4)
Compound Name
5-(1,3-benzodioxol-5-yl)-3-methyl-N~4~-[3-(2-methylpiperidino)propyl]-4-isoxazolecarboxamide
IUPAC name
5-(2H-13-benzodioxol-5-yl)-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-12-oxazole-4-carboxamide
SMILES
CC1N(CCCNC(c2c(-c(cc3)cc4c3OCO4)onc2C)=O)CCCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
385.46
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.743
Distribution Coefficient, logD
-0.105
Water Solubility, LogSw
-3.24
Polar Surface Area
67.387
Acid Dissociation Constant (pKa)
15.00
Base Dissociation Constant (pKb)
10.25
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
52.38
References: we are preparing a list of scientific research reports with V014-9686 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)