V028-9808 Screening compound: [2-hydroxy-3-(prop-2-yn-1-yloxy)propyl][(4-methoxyphenyl)methyl][(3-methylphenyl)methyl]amine
Chemical Structure Depiction of ChemDiv screening compound V028-9808
[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl][(4-methoxyphenyl)methyl][(3-methylphenyl)methyl]amine
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
V028-9808
Molecular Formula
C22H27NO3 (C22 H27 NO3)
Compound Name
[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl][(4-methoxyphenyl)methyl][(3-methylphenyl)methyl]amine
IUPAC name
[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl][(4-methoxyphenyl)methyl][(3-methylphenyl)methyl]amine
SMILES
Cc1cccc(CN(CC(COCC#C)O)Cc(cc2)ccc2OC)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
353.46
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
11.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.693
Distribution Coefficient, logD
3.663
Water Solubility, LogSw
-3.94
Polar Surface Area
36.466
Acid Dissociation Constant (pKa)
14.75
Base Dissociation Constant (pKb)
6.26
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
36.40
V028-9808 in Drug Discovery
Included in Screening Libraries
?ysteine Targeted Covalent Library (39471 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with V028-9808 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)