V002-4100 Screening compound: 3-(butan-2-yl)-N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
Chemical Structure Depiction of ChemDiv screening compound V002-4100
3-(butan-2-yl)-N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
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
V002-4100
Molecular Formula
C25H30F2N4OS (C25 H30 F2 N4 OS)
Compound Name
3-(butan-2-yl)-N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
IUPAC name
3-(butan-2-yl)-N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-148-triazaspiro[4.5]decane-8-carbothioamide
SMILES
CCC(C)C1NC(CC2)(CCN2C(Nc(cc2)ccc2F)=S)N(Cc(cc2)ccc2F)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
472.6
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.849
Distribution Coefficient, logD
4.623
Water Solubility, LogSw
-4.41
Polar Surface Area
39.464
Acid Dissociation Constant (pKa)
13.27
Base Dissociation Constant (pKb)
7.23
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
44.00
References: we are preparing a list of scientific research reports with V002-4100 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)