C466-0310 Screening compound: 2-(3-chlorophenyl)-3-(pyridin-3-yl)-hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of ChemDiv screening compound C466-0310
2-(3-chlorophenyl)-3-(pyridin-3-yl)-hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
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
C466-0310
Molecular Formula
C17H16ClN3O (C17 H16 ClN3 O)
Compound Name
2-(3-chlorophenyl)-3-(pyridin-3-yl)-hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
IUPAC name
(3R7aS)-2-(3-chlorophenyl)-3-(pyridin-3-yl)-hexahydro-1H-pyrrolo[12-c]imidazol-1-one
SMILES
O=C([C@@H](CCC1)N1[C@@H]1c2cnccc2)N1c1cccc(Cl)c1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
313.79
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
2.509
Distribution Coefficient, logD
2.477
Water Solubility, LogSw
-3.03
Polar Surface Area
28.699
Acid Dissociation Constant (pKa)
12.40
Base Dissociation Constant (pKb)
6.29
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
29.40
C466-0310 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
3D Mimetics PPI Library (1617 compounds)
Anti-Aging Library (44940 compounds)
Dark Chemical Matter Library (18430 compounds)
GPCR Targeted Library (31838 compounds)
Macl-GPIb alpha Interaction Library (22969 compounds)
Protein-Protein Interaction Library (218420 compounds)
Selective Target Activity Profiling Library (14702 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Epigenetics Focused Set (26518 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Mimetics
- 3D
- Pool
- Cyclic compounds
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Nervous system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Hemic and lymphatic
- Cardiovascular
- Cancer
- Epigenetic
- Receptor's ligands
- PPI modulators
- PPI modulators
- GPCR
References: we are preparing a list of scientific research reports with C466-0310 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)