5641-1981 Screening compound: (4-{[4-(2-METHOXYPHENYL)PIPERAZINO]CARBONYL}PIPERIDINO)(2-METHYLPHENYL)METHANONE
Chemical Structure Depiction of ChemDiv screening compound 5641-1981
(4-{[4-(2-METHOXYPHENYL)PIPERAZINO]CARBONYL}PIPERIDINO)(2-METHYLPHENYL)METHANONE
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
5641-1981
Molecular Formula
C25H31N3O3 (C25 H31 N3 O3)
Compound Name
(4-{[4-(2-METHOXYPHENYL)PIPERAZINO]CARBONYL}PIPERIDINO)(2-METHYLPHENYL)METHANONE
IUPAC name
1-(2-methoxyphenyl)-4-[1-(2-methylbenzoyl)piperidine-4-carbonyl]piperazine
SMILES
Cc(cccc1)c1C(N(CC1)CCC1C(N(CC1)CCN1c(cccc1)c1OC)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
421.54
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.046
Distribution Coefficient, logD
3.046
Water Solubility, LogSw
-3.36
Polar Surface Area
44.125
Acid Dissociation Constant (pKa)
23.62
Base Dissociation Constant (pKb)
4.25
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
44.00
5641-1981 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Dark Chemical Matter Library (18430 compounds)
GPCR Targeted Library (31838 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Pool
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- GPCR
- Proteases
- Receptor's ligands
References: we are preparing a list of scientific research reports with 5641-1981 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)