E715-0217 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)piperidine-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound E715-0217
1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)piperidine-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
E715-0217
Molecular Formula
C29H38FN7O (C29 H38 FN7 O)
Compound Name
1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)piperidine-3-carboxamide
IUPAC name
1-{6H7H8H9H10H-azepino[21-h]purin-4-yl}-N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)piperidine-3-carboxamide
SMILES
O=C(C(CCC1)CN1c1ncnc2c1nc1n2CCCCC1)NCC1CCN(Cc(cc2)ccc2F)CC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
519.67
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.761
Distribution Coefficient, logD
1.971
Water Solubility, LogSw
-3.92
Polar Surface Area
64.675
Acid Dissociation Constant (pKa)
13.94
Base Dissociation Constant (pKb)
9.18
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
58.60
E715-0217 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Antiviral Annotated Library (21441 compounds)
CNS targets activity set (6557 compounds)
Human GPCR Annotated Library (5539 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
Protein-Protein Interaction Library (218420 compounds)
Antibacterial Compounds Library (13827 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
- Mimetics
- Nervous system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Infections
- Immune system
- animal
- Kinases
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with E715-0217 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)