E715-0241 Screening compound: 1-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-3-carbonyl)-4-methylpiperazine
Chemical Structure Depiction of ChemDiv screening compound E715-0241
1-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-3-carbonyl)-4-methylpiperazine
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
E715-0241
Molecular Formula
C21H31N7O (C21 H31 N7 O)
Compound Name
1-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-3-carbonyl)-4-methylpiperazine
IUPAC name
1-(1-{6H7H8H9H10H-azepino[21-h]purin-4-yl}piperidine-3-carbonyl)-4-methylpiperazine
SMILES
CN(CC1)CCN1C(C(CCC1)CN1c1ncnc2c1nc1n2CCCCC1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
397.52
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
1.461
Distribution Coefficient, logD
1.113
Water Solubility, LogSw
-1.48
Polar Surface Area
56.654
Acid Dissociation Constant (pKa)
18.78
Base Dissociation Constant (pKb)
7.49
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
71.40
E715-0241 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
3D-Pharmacophore Based Diversity Library (49813 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Dark Chemical Matter Library (18430 compounds)
GPCR Targeted Library (31838 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
Protein-Protein Interaction Library (218420 compounds)
Selective Target Activity Profiling Library (14702 compounds)
SmartTM Library (51161 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Recognition Elements PPI Library (24135 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Pool
- Cyclic compounds
- Mimetics
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- GPCR
- Kinases
- Receptor's ligands
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with E715-0241 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)