G730-0821 Screening compound: N~3~-(2-piperidinoethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a][1,3]benzimidazole-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound G730-0821
N~3~-(2-piperidinoethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a][1,3]benzimidazole-3-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
G730-0821
Molecular Formula
C20H28N4O (C20 H28 N4 O)
Compound Name
N~3~-(2-piperidinoethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a][1,3]benzimidazole-3-carboxamide
IUPAC name
N-[2-(piperidin-1-yl)ethyl]-18-diazatricyclo[7.5.0.0^{27}]tetradeca-2(7)358-tetraene-5-carboxamide
SMILES
O=C(c(cc1)cc2c1n(CCCCC1)c1n2)NCCN1CCCCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
340.47
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
2.631
Distribution Coefficient, logD
1.631
Water Solubility, LogSw
-3.11
Polar Surface Area
40.008
Acid Dissociation Constant (pKa)
12.54
Base Dissociation Constant (pKb)
8.35
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
60.00
G730-0821 in Drug Discovery
Included in Screening Libraries
Allosteric Kinases Inhibitors Library (23117 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS BBB Library (22607 compounds)
DGK Inhibitors Library (10558 compounds)
GPCR Targeted Library (31838 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Chemokine Receptor-Targeted Library (18382 compounds)
Epigenetics Focused Set (26518 compounds)
Ion Channels Focused Library (26372 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Nervous system
- Cancer
- Digestive system
- Hemic and lymphatic
- Skin
- Metabolic
- Immune system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Immune system
- Nervous system
- Cardiovascular
- Kinases
- Kinases
- GPCR
- Ion Channels
- Receptor's ligands
- PPI modulators
- Receptor's ligands
- PPI modulators
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with G730-0821 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)