E715-0666 Screening compound: 2,3-dihydro-1H-indol-1-yl[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)-4-piperidyl]methanone
Chemical Structure Depiction of ChemDiv screening compound E715-0666
2,3-dihydro-1H-indol-1-yl[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)-4-piperidyl]methanone
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
E715-0666
Molecular Formula
C24H28N6O (C24 H28 N6 O)
Compound Name
2,3-dihydro-1H-indol-1-yl[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)-4-piperidyl]methanone
IUPAC name
1-(1-{6H7H8H9H10H-azepino[21-h]purin-4-yl}piperidine-4-carbonyl)-23-dihydro-1H-indole
SMILES
O=C(C(CC1)CCN1c1ncnc2c1nc1n2CCCCC1)N(CC1)c2c1cccc2
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
416.53
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.637
Distribution Coefficient, logD
3.631
Water Solubility, LogSw
-3.71
Polar Surface Area
52.274
Acid Dissociation Constant (pKa)
18.78
Base Dissociation Constant (pKb)
5.53
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
50.00
E715-0666 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Allosteric Kinases Inhibitors Library (23117 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
GPCR Targeted Library (31838 compounds)
Macl-GPIb alpha Interaction Library (22969 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Hemic and lymphatic
- Cardiovascular
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Kinases
- GPCR
- Kinases
- Receptor's ligands
- PPI modulators
- PPI modulators
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with E715-0666 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)