Y031-6078 Screening compound: 1-benzyl-4-[2-(propane-1-sulfonyl)benzoyl]piperazine
Chemical Structure Depiction of ChemDiv screening compound Y031-6078
1-benzyl-4-[2-(propane-1-sulfonyl)benzoyl]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
Y031-6078
Molecular Formula
C21H26N2O3S (C21 H26 N2 O3 S)
Compound Name
1-benzyl-4-[2-(propane-1-sulfonyl)benzoyl]piperazine
IUPAC name
1-benzyl-4-[2-(propane-1-sulfonyl)benzoyl]piperazine
SMILES
CCCS(c(cccc1)c1C(N1CCN(Cc2ccccc2)CC1)=O)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
386.52
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
2.581
Distribution Coefficient, logD
2.565
Water Solubility, LogSw
-3.08
Polar Surface Area
49.463
Acid Dissociation Constant (pKa)
21.59
Base Dissociation Constant (pKb)
5.96
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
38.10
Y031-6078 in Drug Discovery
Included in Screening Libraries
BRD4 Targeted Library (4534 compounds)
Included in 1.7M Stock Database
- Cancer
- Hemic and lymphatic
- Cardiovascular
- Metabolic
- Others
References: we are preparing a list of scientific research reports with Y031-6078 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)