E715-0417 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-[(furan-2-yl)methyl]piperidine-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound E715-0417
1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-[(furan-2-yl)methyl]piperidine-4-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
E715-0417
Molecular Formula
C21H26N6O2 (C21 H26 N6 O2)
Compound Name
1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-[(furan-2-yl)methyl]piperidine-4-carboxamide
IUPAC name
1-{6H7H8H9H10H-azepino[21-h]purin-4-yl}-N-[(furan-2-yl)methyl]piperidine-4-carboxamide
SMILES
O=C(C(CC1)CCN1c1ncnc2c1nc1n2CCCCC1)NCc1ccco1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
394.48
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
2.689
Distribution Coefficient, logD
2.684
Water Solubility, LogSw
-2.88
Polar Surface Area
68.758
Acid Dissociation Constant (pKa)
12.38
Base Dissociation Constant (pKb)
5.53
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
52.40
E715-0417 in Drug Discovery
Included in Screening Libraries
DGK Inhibitors Library (10558 compounds)
GPCR Targeted Library (31838 compounds)
Macl-GPIb alpha Interaction Library (22969 compounds)
Nucleoside Mimetics Library (2197 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)
Purine Based Nucleoside Mimetics Library (1131 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Hemic and lymphatic
- Skin
- Metabolic
- Immune system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Hemic and lymphatic
- Cardiovascular
- Antiviral
- Infections
- Cancer
- Immune system
- Cancer
- Digestive system
- Female
- Hemic and lymphatic
- Metabolic
- Immune system
- Kinases
- GPCR
- Others
- Receptor's ligands
- PPI modulators
- PPI modulators
- Mimetics
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with E715-0417 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)