E002-2421 Screening compound: N-{2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
Chemical Structure Depiction of ChemDiv screening compound E002-2421
N-{2-[4-(2-fluorophenyl)piperazine-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
E002-2421
Molecular Formula
C26H25FN4O5 (C26 H25 FN4 O5)
Compound Name
N-{2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
IUPAC name
N-{2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-3-(3-methoxy-12-oxazol-5-yl)propanamide
SMILES
COc1noc(CCC(Nc2c(C(N(CC3)CCN3c(cccc3)c3F)=O)oc3c2cccc3)=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
492.51
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
3.752
Distribution Coefficient, logD
3.706
Water Solubility, LogSw
-4.14
Polar Surface Area
78.276
Acid Dissociation Constant (pKa)
8.35
Base Dissociation Constant (pKb)
1.35
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
26.90
E002-2421 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Agro
References: we are preparing a list of scientific research reports with E002-2421 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)