3343-0392 Screening compound: ethyl 4-{5-[(1E)-2-(1,3-benzothiazol-2-yl)-2-cyanoeth-1-en-1-yl]furan-2-yl}piperazine-1-carboxylate
Chemical Structure Depiction of ChemDiv screening compound 3343-0392
ethyl 4-{5-[(1E)-2-(1,3-benzothiazol-2-yl)-2-cyanoeth-1-en-1-yl]furan-2-yl}piperazine-1-carboxylate
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
3343-0392
Molecular Formula
C21H20N4O3S (C21 H20 N4 O3 S)
Compound Name
ethyl 4-{5-[(1E)-2-(1,3-benzothiazol-2-yl)-2-cyanoeth-1-en-1-yl]furan-2-yl}piperazine-1-carboxylate
IUPAC name
ethyl 4-{5-[(1E)-2-(13-benzothiazol-2-yl)-2-cyanoeth-1-en-1-yl]furan-2-yl}piperazine-1-carboxylate
SMILES
CCOC(N(CC1)CCN1c1ccc(/C=C(/c2nc(cccc3)c3s2)\C#N)o1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
408.48
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
4.422
Distribution Coefficient, logD
4.422
Water Solubility, LogSw
-4.22
Polar Surface Area
61.425
Acid Dissociation Constant (pKa)
27.63
Base Dissociation Constant (pKb)
-1.46
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
28.60
3343-0392 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 3343-0392 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)