E679-0629 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-4-methylpiperidine
Chemical Structure Depiction of ChemDiv screening compound E679-0629
1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-4-methylpiperidine
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
E679-0629
Molecular Formula
C16H23N5 (C16 H23 N5)
Compound Name
1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-4-methylpiperidine
IUPAC name
1-{6H7H8H9H10H-azepino[21-h]purin-4-yl}-4-methylpiperidine
SMILES
CC(CC1)CCN1c1ncnc2c1nc1n2CCCCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
285.39
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.265
Distribution Coefficient, logD
3.259
Water Solubility, LogSw
-3.49
Polar Surface Area
36.595
Acid Dissociation Constant (pKa)
18.78
Base Dissociation Constant (pKb)
5.53
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
68.75
E679-0629 in Drug Discovery
Included in Screening Libraries
Allosteric Kinases Inhibitors Library (23117 compounds)
CNS MPO Library (28609 compounds)
DGK Inhibitors Library (10558 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
Protein-Protein Interaction Library (218420 compounds)
Akt-Targeted Library (14764 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
- Nervous system
- Cancer
- Digestive system
- Hemic and lymphatic
- Skin
- Metabolic
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Kinases
- Kinases
- Kinases
- Kinases
- PPI modulators
- PPI modulators
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with E679-0629 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)