V022-2093 Screening compound: ethyl 1-(2-{6-[1-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetyl)piperidine-3-carboxylate
Chemical Structure Depiction of ChemDiv screening compound V022-2093
ethyl 1-(2-{6-[1-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetyl)piperidine-3-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
V022-2093
Molecular Formula
C27H28FN5O4S (C27 H28 FN5 O4 S)
Compound Name
ethyl 1-(2-{6-[1-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetyl)piperidine-3-carboxylate
IUPAC name
ethyl 1-(2-{6-[1-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidin-3-yl}acetyl)piperidine-3-carboxylate
SMILES
CCOC(C(CCC1)CN1C(CC(N12)=CSC2=NC(C)=C(c(cc2C)nn2-c(cc2)ccc2F)C1=O)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
537.62
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
3.012
Distribution Coefficient, logD
3.012
Water Solubility, LogSw
-3.11
Polar Surface Area
75.732
Acid Dissociation Constant (pKa)
18.35
Base Dissociation Constant (pKb)
1.86
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
37.00
References: we are preparing a list of scientific research reports with V022-2093 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)