E715-0091 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-(5-methylpyridin-2-yl)piperidine-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound E715-0091
1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-(5-methylpyridin-2-yl)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
E715-0091
Molecular Formula
C22H27N7O (C22 H27 N7 O)
Compound Name
1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-(5-methylpyridin-2-yl)piperidine-3-carboxamide
IUPAC name
1-{6H7H8H9H10H-azepino[21-h]purin-4-yl}-N-(5-methylpyridin-2-yl)piperidine-3-carboxamide
SMILES
Cc(cc1)cnc1NC(C(CCC1)CN1c1ncnc2c1nc1n2CCCCC1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
405.5
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.181
Distribution Coefficient, logD
3.174
Water Solubility, LogSw
-3.10
Polar Surface Area
69.325
Acid Dissociation Constant (pKa)
9.84
Base Dissociation Constant (pKb)
5.53
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
50.00
E715-0091 in Drug Discovery
Included in Screening Libraries
CNS targets activity set (6557 compounds)
Dark Chemical Matter Library (18430 compounds)
Human GPCR Annotated Library (5539 compounds)
Immunological Library (6760 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)
Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- Pool
- Cyclic compounds
- Mimetics
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Cancer
- Digestive system
- Female
- Hemic and lymphatic
- Metabolic
- Immune system
- Kinases
- Others
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with E715-0091 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)