N081-0782 Screening compound: 3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}-2-[(4-methylphenyl)methyl]propanoic acid
Chemical Structure Depiction of ChemDiv screening compound N081-0782
3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}-2-[(4-methylphenyl)methyl]propanoic acid
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
N081-0782
Molecular Formula
C22H27NO5 (C22 H27 NO5)
Compound Name
3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}-2-[(4-methylphenyl)methyl]propanoic acid
IUPAC name
3-{[2-(34-dimethoxyphenyl)ethyl]carbamoyl}-2-[(4-methylphenyl)methyl]propanoic acid
SMILES
Cc1ccc(CC(CC(NCCc(cc2)cc(OC)c2OC)=O)C(O)=O)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
385.46
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
11.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.229
Distribution Coefficient, logD
-0.425
Water Solubility, LogSw
-2.68
Polar Surface Area
67.949
Acid Dissociation Constant (pKa)
4.75
Base Dissociation Constant (pKb)
-0.10
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
36.40
N081-0782 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Anti-Aging Library (44940 compounds)
Dark Chemical Matter Library (18430 compounds)
Eccentric PPI Library (11937 compounds)
Macl-GPIb alpha Interaction Library (22969 compounds)
Protein-Protein Interaction Library (218420 compounds)
RAR (Nuclear receptors) Ligands Library (6524 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
SH2 PTB Focused Library (6188 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Pool
- Cyclic compounds
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Hemic and lymphatic
- Cardiovascular
- Cancer
- Respiratory tract
- Eye
- Male
- Female
- Hemic and lymphatic
- Congenital
- Skin
- Endocrine
- Immune system
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Epigenetic
- PPI modulators
- PPI modulators
- Receptor's ligands
- Nuclear receptors
- Proteases
- Phosphatases
References: we are preparing a list of scientific research reports with N081-0782 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)