D153-0061 Screening compound: 2-[4-(4-propylbenzenesulfonyl)piperazin-1-yl]pyrimidine
Chemical Structure Depiction of ChemDiv screening compound D153-0061
2-[4-(4-propylbenzenesulfonyl)piperazin-1-yl]pyrimidine
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
D153-0061
Molecular Formula
C17H22N4O2S (C17 H22 N4 O2 S)
Compound Name
2-[4-(4-propylbenzenesulfonyl)piperazin-1-yl]pyrimidine
IUPAC name
2-[4-(4-propylbenzenesulfonyl)piperazin-1-yl]pyrimidine
SMILES
CCCc(cc1)ccc1S(N(CC1)CCN1c1ncccn1)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
346.45
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.579
Distribution Coefficient, logD
3.579
Water Solubility, LogSw
-3.66
Polar Surface Area
53.572
Acid Dissociation Constant (pKa)
20.87
Base Dissociation Constant (pKb)
3.11
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
41.20
D153-0061 in Drug Discovery
Included in Screening Libraries
Anti-Inflammatory Library (24602 compounds)
CNS MPO Library (28609 compounds)
Included in 1.7M Stock Database
- Immune system
- Nervous system
References: we are preparing a list of scientific research reports with D153-0061 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)