4265-2566 Screening compound: N-benzyl-5-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-2-nitroaniline
Chemical Structure Depiction of ChemDiv screening compound 4265-2566
N-benzyl-5-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-2-nitroaniline
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
4265-2566
Molecular Formula
C24H26N4O4S (C24 H26 N4 O4 S)
Compound Name
N-benzyl-5-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-2-nitroaniline
IUPAC name
N-benzyl-5-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-2-nitroaniline
SMILES
Cc(cc1)ccc1S(N(CC1)CCN1c(cc1)cc(NCc2ccccc2)c1[N+]([O-])=O)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
466.56
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
4.575
Distribution Coefficient, logD
4.575
Water Solubility, LogSw
-4.44
Polar Surface Area
77.827
Acid Dissociation Constant (pKa)
15.62
Base Dissociation Constant (pKb)
-0.01
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
25.00
References: we are preparing a list of scientific research reports with 4265-2566 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)