4678-1599 Screening compound: propan-2-yl 4-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of ChemDiv screening compound 4678-1599
propan-2-yl 4-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-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
4678-1599
Molecular Formula
C26H28N4O5 (C26 H28 N4 O5)
Compound Name
propan-2-yl 4-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
IUPAC name
propan-2-yl 4-[3-(34-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate
SMILES
CC(C)OC(C(C(c1cn(-c2ccccc2)nc1-c(cc1)cc(OC)c1OC)N1)=C(C)NC1=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
476.53
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
3.339
Distribution Coefficient, logD
3.211
Water Solubility, LogSw
-3.65
Polar Surface Area
86.018
Acid Dissociation Constant (pKa)
7.86
Base Dissociation Constant (pKb)
-3.11
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
26.90
4678-1599 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Antiviral Library (67538 compounds)
Selective Target Activity Profiling Library (14702 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Antiviral
- Infections
- Immune system
References: we are preparing a list of scientific research reports with 4678-1599 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)