Y501-7546 Screening compound: {1-[(2-methylphenoxy)methyl]-1H-pyrazol-3-yl}{4-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]piperazino}methanone
Chemical Structure Depiction of ChemDiv screening compound Y501-7546
{1-[(2-methylphenoxy)methyl]-1H-pyrazol-3-yl}{4-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]piperazino}methanone
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
Y501-7546
Molecular Formula
C20H24N6O4S (C20 H24 N6 O4 S)
Compound Name
{1-[(2-methylphenoxy)methyl]-1H-pyrazol-3-yl}{4-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]piperazino}methanone
IUPAC name
1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-4-{1-[(2-methylphenoxy)methyl]-1H-pyrazole-3-carbonyl}piperazine
SMILES
Cc(cccc1)c1OCn(cc1)nc1C(N(CC1)CCN1S(c1cn(C)nc1)(=O)=O)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
444.51
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
1.054
Distribution Coefficient, logD
1.054
Water Solubility, LogSw
-2.11
Polar Surface Area
85.665
Acid Dissociation Constant (pKa)
28.80
Base Dissociation Constant (pKb)
-2.76
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
35.00
Y501-7546 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with Y501-7546 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)