C087-0900 Screening compound: 3-(2-ethylphenyl)-1-[(furan-2-yl)methyl]-1-[2-(piperidin-1-yl)ethyl]thiourea
Chemical Structure Depiction of ChemDiv screening compound C087-0900
3-(2-ethylphenyl)-1-[(furan-2-yl)methyl]-1-[2-(piperidin-1-yl)ethyl]thiourea
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
C087-0900
Molecular Formula
C21H29N3OS (C21 H29 N3 OS)
Compound Name
3-(2-ethylphenyl)-1-[(furan-2-yl)methyl]-1-[2-(piperidin-1-yl)ethyl]thiourea
IUPAC name
3-(2-ethylphenyl)-1-[(furan-2-yl)methyl]-1-[2-(piperidin-1-yl)ethyl]thiourea
SMILES
CCc(cccc1)c1NC(N(CCN1CCCCC1)Cc1ccco1)=S
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
371.55
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
4.808
Distribution Coefficient, logD
1.957
Water Solubility, LogSw
-4.31
Polar Surface Area
21.440
Acid Dissociation Constant (pKa)
15.36
Base Dissociation Constant (pKb)
10.25
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
47.60
C087-0900 in Drug Discovery
Included in Screening Libraries
Dark Chemical Matter Library (18430 compounds)
Included in 1.7M Stock Database
- Pool
References: we are preparing a list of scientific research reports with C087-0900 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)