E002-2615 Screening compound: N-(2-{4-[(3-ethoxypropyl)(methyl)amino]piperidine-1-carbonyl}-1-benzofuran-3-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
Chemical Structure Depiction of ChemDiv screening compound E002-2615
N-(2-{4-[(3-ethoxypropyl)(methyl)amino]piperidine-1-carbonyl}-1-benzofuran-3-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
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
E002-2615
Molecular Formula
C27H36N4O6 (C27 H36 N4 O6)
Compound Name
N-(2-{4-[(3-ethoxypropyl)(methyl)amino]piperidine-1-carbonyl}-1-benzofuran-3-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
IUPAC name
N-(2-{4-[(3-ethoxypropyl)(methyl)amino]piperidine-1-carbonyl}-1-benzofuran-3-yl)-3-(3-methoxy-12-oxazol-5-yl)propanamide
SMILES
CCOCCCN(C)C(CC1)CCN1C(c(oc1c2cccc1)c2NC(CCc1cc(OC)no1)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
512.61
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
14.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
2.890
Distribution Coefficient, logD
-0.118
Water Solubility, LogSw
-3.21
Polar Surface Area
86.139
Acid Dissociation Constant (pKa)
8.35
Base Dissociation Constant (pKb)
10.41
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
51.90
E002-2615 in Drug Discovery
Included in Screening Libraries
Neurotransmitter Transporter Inhibitors Library (11024 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Included in 1.7M Stock Database
- Nervous system
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- GPCR
- Ion Channels
- Others
- Epigenetic
References: we are preparing a list of scientific research reports with E002-2615 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)