M414-0496 Screening compound: 1-phenyl-N-{[1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl]methyl}cyclopropane-1-carboxamide
Chemical Structure Depiction of ChemDiv screening compound M414-0496
1-phenyl-N-{[1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl]methyl}cyclopropane-1-carboxamide
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
M414-0496
Molecular Formula
C21H23N3O (C21 H23 N3 O)
Compound Name
1-phenyl-N-{[1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl]methyl}cyclopropane-1-carboxamide
IUPAC name
1-phenyl-N-{[1-(propan-2-yl)-1H-13-benzodiazol-5-yl]methyl}cyclopropane-1-carboxamide
SMILES
CC(C)n1c(ccc(CNC(C2(CC2)c2ccccc2)=O)c2)c2nc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
333.43
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.255
Distribution Coefficient, logD
3.255
Water Solubility, LogSw
-3.59
Polar Surface Area
36.151
Acid Dissociation Constant (pKa)
12.17
Base Dissociation Constant (pKb)
3.68
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
33.30
M414-0496 in Drug Discovery
Included in Screening Libraries
CNS BBB Library (22607 compounds)
Macl-GPIb alpha Interaction Library (22969 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
SmartTM Library (51161 compounds)
Epigenetics Focused Set (26518 compounds)
Included in 1.7M Stock Database
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Others
- Epigenetic
References: we are preparing a list of scientific research reports with M414-0496 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)