4108-0764 Screening compound: 2-(2,3-dihydro-9H-imidazo[1,2-a][1,3]benzimidazol-9-yl)-1-phenyl-1-ethanol
Chemical Structure Depiction of ChemDiv screening compound 4108-0764
2-(2,3-dihydro-9H-imidazo[1,2-a][1,3]benzimidazol-9-yl)-1-phenyl-1-ethanol
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
4108-0764
Molecular Formula
C17H17N3O (C17 H17 N3 O)
Compound Name
2-(2,3-dihydro-9H-imidazo[1,2-a][1,3]benzimidazol-9-yl)-1-phenyl-1-ethanol
IUPAC name
1-phenyl-2-{257-triazatricyclo[6.4.0.0^{26}]dodeca-1(12)5810-tetraen-7-yl}ethan-1-ol
SMILES
OC(CN1C2=NCCN2c2c1cccc2)c1ccccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HCl
Molecular Weight
279.34
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
2.616
Distribution Coefficient, logD
2.394
Water Solubility, LogSw
-2.61
Polar Surface Area
32.004
Acid Dissociation Constant (pKa)
14.50
Base Dissociation Constant (pKb)
7.22
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
23.50
4108-0764 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
3D-Pharmacophore Based Diversity Library (49813 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS BBB Library (22607 compounds)
Dark Chemical Matter Library (18430 compounds)
Fragments Library (11262 compounds)
Human Proteases Annotated Library (2868 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Targeted Diversity Library (40567 compounds)
Akt-Targeted Library (14764 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Ion Channels Focused Library (26372 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- 3D
- Pool
- Fragments
- Nervous system
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Nervous system
- Cardiovascular
- Others
- Kinases
- Ion Channels
- Epigenetic
- Agro
References: we are preparing a list of scientific research reports with 4108-0764 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)