7491-0144 Screening compound: 2-chloro-N-{1-methyl-2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzamide
Chemical Structure Depiction of ChemDiv screening compound 7491-0144
2-chloro-N-{1-methyl-2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazol-5-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
7491-0144
Molecular Formula
C20H21ClN4O2 (C20 H21 ClN4 O2)
Compound Name
2-chloro-N-{1-methyl-2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzamide
IUPAC name
2-chloro-N-{1-methyl-2-[(morpholin-4-yl)methyl]-1H-13-benzodiazol-5-yl}benzamide
SMILES
Cn1c(ccc(NC(c(cccc2)c2Cl)=O)c2)c2nc1CN1CCOCC1
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
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.652
Distribution Coefficient, logD
2.650
Water Solubility, LogSw
-3.65
Polar Surface Area
46.957
Acid Dissociation Constant (pKa)
10.04
Base Dissociation Constant (pKb)
4.83
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
30.00
7491-0144 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Dark Chemical Matter Library (18430 compounds)
GPCR Targeted Library (31838 compounds)
Protein Kinases Inhibitors Library (36801 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
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- GPCR
- Kinases
- Receptor's ligands
References: we are preparing a list of scientific research reports with 7491-0144 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)