E715-0539 Screening compound: N-{2-[sec-butyl(2-furylmethyl)amino]ethyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)-4-piperidinecarboxamide
Chemical Structure Depiction of ChemDiv screening compound E715-0539
N-{2-[sec-butyl(2-furylmethyl)amino]ethyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)-4-piperidinecarboxamide
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
E715-0539
Molecular Formula
C27H39N7O2 (C27 H39 N7 O2)
Compound Name
N-{2-[sec-butyl(2-furylmethyl)amino]ethyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)-4-piperidinecarboxamide
IUPAC name
1-{6H7H8H9H10H-azepino[21-h]purin-4-yl}-N-{2-[(butan-2-yl)[(furan-2-yl)methyl]amino]ethyl}piperidine-4-carboxamide
SMILES
CCC(C)N(CCNC(C(CC1)CCN1c1ncnc2c1nc1n2CCCCC1)=O)Cc1ccco1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
493.65
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
3.566
Distribution Coefficient, logD
2.823
Water Solubility, LogSw
-3.36
Polar Surface Area
71.781
Acid Dissociation Constant (pKa)
13.35
Base Dissociation Constant (pKb)
8.06
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
62.96
E715-0539 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Macl-GPIb alpha Interaction Library (22969 compounds)
Protein-Protein Interaction Library (218420 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- Hemic and lymphatic
- Cardiovascular
- PPI modulators
- PPI modulators
- Mimetics
References: we are preparing a list of scientific research reports with E715-0539 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)