4119-0100 Screening compound: N-[3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-N,N-dimethylamine
Chemical Structure Depiction of ChemDiv screening compound 4119-0100
N-[3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-N,N-dimethylamine
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
4119-0100
Molecular Formula
C19H23ClN2 (C19 H23 ClN2)
Compound Name
N-[3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-N,N-dimethylamine
IUPAC name
(3-{5-chloro-2-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-2-yl}propyl)dimethylamine
SMILES
CN(C)CCCN(c1c(CC2)cccc1)c1c2ccc(Cl)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HCl
Molecular Weight
314.86
Hydrogen Bond Acceptors Count
1.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
2
Partition Coefficient, logP
5.413
Distribution Coefficient, logD
4.236
Water Solubility, LogSw
-5.83
Polar Surface Area
5.732
Acid Dissociation Constant (pKa)
24.17
Base Dissociation Constant (pKb)
8.55
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
36.80
4119-0100 in Drug Discovery
Included in Screening Libraries
Anti-Aging Library (44940 compounds)
Antiviral Annotated Library (21441 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS Annotated Library (688 compounds)
CNS targets activity set (6557 compounds)
Human GPCR Annotated Library (5539 compounds)
Human Receptors Annotated Library (5376 compounds)
Neurotransmitter Transporter Inhibitors Library (11024 compounds)
Regenerative Medicine Focused Library (23016 compounds)
Targeted Diversity Library (40567 compounds)
Therapeutical Diversity Annotated Library (7563 compounds)
Voltage-Gated Ion Channel-Targeted Library (4740 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Antiviral
- Infections
- Immune system
- Nervous system
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
- Nervous system
- Epigenetic
- GPCR
- Ion Channels
- Ion Channels
References: we are preparing a list of scientific research reports with 4119-0100 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)