M459-3541 Screening compound: 2-{[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
Chemical Structure Depiction of ChemDiv screening compound M459-3541
2-{[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
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
M459-3541
Molecular Formula
C25H28N4O2S (C25 H28 N4 O2 S)
Compound Name
2-{[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
IUPAC name
2-{[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
SMILES
COc(cccc1)c1NC(CSc1nc(N2CCC(Cc3ccccc3)CC2)ccn1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
448.59
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
5.543
Distribution Coefficient, logD
5.543
Water Solubility, LogSw
-5.51
Polar Surface Area
50.419
Acid Dissociation Constant (pKa)
11.38
Base Dissociation Constant (pKb)
1.85
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
32.00
References: we are preparing a list of scientific research reports with M459-3541 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)