E957-0614 Screening compound: N-[2-(4-ethylpiperazine-1-carbonyl)-1-benzofuran-3-yl]thiophene-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound E957-0614
N-[2-(4-ethylpiperazine-1-carbonyl)-1-benzofuran-3-yl]thiophene-2-carboxamide
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
E957-0614
Molecular Formula
C20H21N3O3S (C20 H21 N3 O3 S)
Compound Name
N-[2-(4-ethylpiperazine-1-carbonyl)-1-benzofuran-3-yl]thiophene-2-carboxamide
IUPAC name
N-[2-(4-ethylpiperazine-1-carbonyl)-1-benzofuran-3-yl]thiophene-2-carboxamide
SMILES
CCN(CC1)CCN1C(c(oc1c2cccc1)c2NC(c1cccs1)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
383.47
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.568
Distribution Coefficient, logD
2.312
Water Solubility, LogSw
-2.85
Polar Surface Area
51.663
Acid Dissociation Constant (pKa)
8.07
Base Dissociation Constant (pKb)
7.09
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
30.00
E957-0614 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with E957-0614 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)