V005-8067 Screening compound: 3-{2-[3-(4-fluorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-(2-methoxyethyl)-1-[4-(trifluoromethyl)phenyl]urea
Chemical Structure Depiction of ChemDiv screening compound V005-8067
3-{2-[3-(4-fluorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-(2-methoxyethyl)-1-[4-(trifluoromethyl)phenyl]urea
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
V005-8067
Molecular Formula
C26H24F4N4O4 (C26 H24 F4 N4 O4)
Compound Name
3-{2-[3-(4-fluorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-(2-methoxyethyl)-1-[4-(trifluoromethyl)phenyl]urea
IUPAC name
3-{2-[3-(4-fluorophenyl)-5-(furan-2-yl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-(2-methoxyethyl)-1-[4-(trifluoromethyl)phenyl]urea
SMILES
COCCN(CC(N(C(C1)c2ccco2)N=C1c(cc1)ccc1F)=O)C(Nc1ccc(C(F)(F)F)cc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
532.49
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
12.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
4.633
Distribution Coefficient, logD
4.632
Water Solubility, LogSw
-4.30
Polar Surface Area
68.790
Acid Dissociation Constant (pKa)
13.92
Base Dissociation Constant (pKb)
-2.98
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
26.90
References: we are preparing a list of scientific research reports with V005-8067 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)