1646-0128 Screening compound: 10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl(4-methylpiperazino)methanone
Chemical Structure Depiction of ChemDiv screening compound 1646-0128
10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl(4-methylpiperazino)methanone
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
1646-0128
Molecular Formula
C20H23N3O (C20 H23 N3 O)
Compound Name
10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl(4-methylpiperazino)methanone
IUPAC name
2-(4-methylpiperazine-1-carbonyl)-2-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene
SMILES
CN(CC1)CCN1C(N(c1c(CC2)cccc1)c1c2cccc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
321.42
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.783
Distribution Coefficient, logD
2.494
Water Solubility, LogSw
-3.86
Polar Surface Area
19.483
Acid Dissociation Constant (pKa)
24.64
Base Dissociation Constant (pKb)
8.67
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
35.00
1646-0128 in Drug Discovery
Included in Screening Libraries
Allosteric Kinases Inhibitors Library (23117 compounds)
Anti-Aging Library (44940 compounds)
BRD4 Targeted Library (4534 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS BBB Library (22607 compounds)
DGK Inhibitors Library (10558 compounds)
Neurotransmitter Transporter Inhibitors Library (11024 compounds)
Regenerative Medicine Focused Library (23016 compounds)
Ion Channels Focused Library (26372 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Cancer
- Hemic and lymphatic
- Cardiovascular
- Metabolic
- Nervous system
- Cancer
- Digestive system
- Hemic and lymphatic
- Skin
- Metabolic
- Immune system
- Nervous system
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
- Nervous system
- Cardiovascular
- Kinases
- Others
- Kinases
- GPCR
- Ion Channels
- Ion Channels
- Epigenetic
References: we are preparing a list of scientific research reports with 1646-0128 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)