V017-2014 Screening compound: N-benzyl-N'-[4-(3-methoxypropyl)-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]urea
Chemical Structure Depiction of ChemDiv screening compound V017-2014
N-benzyl-N'-[4-(3-methoxypropyl)-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]urea
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
V017-2014
Molecular Formula
C22H27N3O4 (C22 H27 N3 O4)
Compound Name
N-benzyl-N'-[4-(3-methoxypropyl)-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]urea
IUPAC name
n/a
SMILES
CC(C(N(CCCOC)C1)=O)Oc(cc2)c1cc2NC(NCc1ccccc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
397.47
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.663
Distribution Coefficient, logD
2.663
Water Solubility, LogSw
-3.19
Polar Surface Area
66.798
Acid Dissociation Constant (pKa)
13.65
Base Dissociation Constant (pKb)
2.99
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
36.40
V017-2014 in Drug Discovery
Included in Screening Libraries
Allosteric Kinases Inhibitors Library (23117 compounds)
PI3K-Targeted Library (17255 compounds)
Antibacterial Compounds Library (13827 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Infections
- Immune system
- animal
- Kinases
- Kinases
References: we are preparing a list of scientific research reports with V017-2014 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)