K781-2361 Screening compound: 1-{4-[(4-bromophenyl)sulfanyl]-3-nitrobenzoyl}-4-[(4-chlorophenyl)(phenyl)methyl]piperazine
Chemical Structure Depiction of ChemDiv screening compound K781-2361
1-{4-[(4-bromophenyl)sulfanyl]-3-nitrobenzoyl}-4-[(4-chlorophenyl)(phenyl)methyl]piperazine
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
K781-2361
Molecular Formula
C30H25BrClN3O3S (C30 H25 BrClN3 O3 S)
Compound Name
1-{4-[(4-bromophenyl)sulfanyl]-3-nitrobenzoyl}-4-[(4-chlorophenyl)(phenyl)methyl]piperazine
IUPAC name
1-{4-[(4-bromophenyl)sulfanyl]-3-nitrobenzoyl}-4-[(4-chlorophenyl)(phenyl)methyl]piperazine
SMILES
[O-][N+](c(cc(cc1)C(N(CC2)CCN2C(c2ccccc2)c(cc2)ccc2Cl)=O)c1Sc(cc1)ccc1Br)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
622.97
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
8.056
Distribution Coefficient, logD
8.055
Water Solubility, LogSw
-6.67
Polar Surface Area
52.257
Acid Dissociation Constant (pKa)
24.59
Base Dissociation Constant (pKb)
4.42
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
16.70
References: we are preparing a list of scientific research reports with K781-2361 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)