V009-5085 Screening compound: 2-{6-[1-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
Chemical Structure Depiction of ChemDiv screening compound V009-5085
2-{6-[1-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
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
V009-5085
Molecular Formula
C27H20Cl2F3N5O2S (C27 H20 Cl2 F3 N5 O2 S)
Compound Name
2-{6-[1-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
IUPAC name
2-{6-[1-(34-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidin-3-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
SMILES
Cc1cc(C2=C(C)N=C3SC=C(CC(NCc4cc(C(F)(F)F)ccc4)=O)N3C2=O)nn1-c(cc1)cc(Cl)c1Cl
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
606.45
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
5.472
Distribution Coefficient, logD
5.472
Water Solubility, LogSw
-6.06
Polar Surface Area
63.124
Acid Dissociation Constant (pKa)
13.58
Base Dissociation Constant (pKb)
1.86
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
18.50
References: we are preparing a list of scientific research reports with V009-5085 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)