0168-0393 Screening compound: 1-{3-[4-(diphenylmethyl)piperazin-1-yl]propyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
Chemical Structure Depiction of ChemDiv screening compound 0168-0393
1-{3-[4-(diphenylmethyl)piperazin-1-yl]propyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
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
0168-0393
Molecular Formula
C27H30N4O (C27 H30 N4 O)
Compound Name
1-{3-[4-(diphenylmethyl)piperazin-1-yl]propyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
IUPAC name
1-{3-[4-(diphenylmethyl)piperazin-1-yl]propyl}-23-dihydro-1H-13-benzodiazol-2-one
SMILES
O=C1N(CCCN(CC2)CCN2C(c2ccccc2)c2ccccc2)c(cccc2)c2N1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HCl
Molecular Weight
426.56
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.732
Distribution Coefficient, logD
4.620
Water Solubility, LogSw
-4.52
Polar Surface Area
33.584
Acid Dissociation Constant (pKa)
13.55
Base Dissociation Constant (pKb)
6.87
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
29.60
0168-0393 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Allosteric Kinases Inhibitors Library (23117 compounds)
Anti-Inflammatory Library (24602 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS targets activity set (6557 compounds)
DGK Inhibitors Library (10558 compounds)
Human GPCR Annotated Library (5539 compounds)
Human Ion Channels Annotated Library (353 compounds)
Human Kinases Annotated Library (2415 compounds)
Human Receptors Annotated Library (5376 compounds)
Human Transcription Factors Annotated Library (5098 compounds)
Launched & Clinically Evaluated Drugs Library (185 compounds)
Therapeutical Diversity Annotated Library (7563 compounds)
Voltage-Gated Ion Channel-Targeted Library (4740 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Immune system
- Antiviral
- Infections
- Immune system
- Nervous system
- Cancer
- Digestive system
- Hemic and lymphatic
- Skin
- Metabolic
- Immune system
- Nervous system
- Kinases
- Kinases
- Ion Channels
References: we are preparing a list of scientific research reports with 0168-0393 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)