3721-3424 Screening compound: 1,4-bis(2-methoxy-5-methylbenzenesulfonyl)-2-methylpiperazine
Chemical Structure Depiction of ChemDiv screening compound 3721-3424
1,4-bis(2-methoxy-5-methylbenzenesulfonyl)-2-methylpiperazine
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
3721-3424
Molecular Formula
C21H28N2O6S2 (C21 H28 N2 O6 S2)
Compound Name
1,4-bis(2-methoxy-5-methylbenzenesulfonyl)-2-methylpiperazine
IUPAC name
14-bis(2-methoxy-5-methylbenzenesulfonyl)-2-methylpiperazine
SMILES
CC(CN(CC1)S(c(cc(C)cc2)c2OC)(=O)=O)N1S(c(cc(C)cc1)c1OC)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
468.6
Hydrogen Bond Acceptors Count
12.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.203
Distribution Coefficient, logD
3.203
Water Solubility, LogSw
-3.28
Polar Surface Area
78.724
Acid Dissociation Constant (pKa)
26.05
Base Dissociation Constant (pKb)
-6.73
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
42.90
3721-3424 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Antiviral Annotated Library (21441 compounds)
Human Transcription Factors Annotated Library (5098 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
References: we are preparing a list of scientific research reports with 3721-3424 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)