3357-0452 Screening compound: 4-chloro-N-{1-[2-(morpholin-4-yl)ethyl]-1H-1,3-benzodiazol-2-yl}benzamide
Chemical Structure Depiction of ChemDiv screening compound 3357-0452
4-chloro-N-{1-[2-(morpholin-4-yl)ethyl]-1H-1,3-benzodiazol-2-yl}benzamide
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
3357-0452
Molecular Formula
C20H21ClN4O2 (C20 H21 ClN4 O2)
Compound Name
4-chloro-N-{1-[2-(morpholin-4-yl)ethyl]-1H-1,3-benzodiazol-2-yl}benzamide
IUPAC name
4-chloro-N-{1-[2-(morpholin-4-yl)ethyl]-1H-13-benzodiazol-2-yl}benzamide
SMILES
O=C(c(cc1)ccc1Cl)Nc1nc(cccc2)c2n1CCN1CCOCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
384.87
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.248
Distribution Coefficient, logD
3.177
Water Solubility, LogSw
-3.88
Polar Surface Area
47.035
Acid Dissociation Constant (pKa)
9.70
Base Dissociation Constant (pKb)
6.64
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
30.00
3357-0452 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Angiogenesis library (14822 compounds)
Anticancer Library (62698 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Neurotransmitter Transporter Inhibitors Library (11024 compounds)
Nucleic Acid Ligands (8311 compounds)
PI3K-Targeted Library (17255 compounds)
STING Agonist Library (5895 compounds)
Selective Target Activity Profiling Library (14702 compounds)
SmartTM Library (51161 compounds)
Targeted Diversity Library (40567 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Type II Kinase Inhibitors Library (6956 compounds)
Included in 1.7M Stock Database
- 3D
- Cancer
- Cancer
- Nervous system
- Infections
- Cancer
- Musculoskeletal
- Nervous system
- Hemic and lymphatic
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Cancer
- Immune system
- Digestive system
- Hemic and lymphatic
- Endocrine
- GPCR
- Ion Channels
- Kinases
- Others
- Kinases
References: we are preparing a list of scientific research reports with 3357-0452 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)