8013-1190 Screening compound: methyl 2-[1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Chemical Structure Depiction of ChemDiv screening compound 8013-1190
methyl 2-[1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
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
8013-1190
Molecular Formula
C13H14N2O4 (C13 H14 N2 O4)
Compound Name
methyl 2-[1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
IUPAC name
methyl 2-[1-(4-methoxyphenyl)-5-oxo-45-dihydro-1H-pyrazol-3-yl]acetate
SMILES
COC(CC(CC1=O)=NN1c(cc1)ccc1OC)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
262.27
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
0.955
Distribution Coefficient, logD
-0.135
Water Solubility, LogSw
-1.60
Polar Surface Area
55.792
Acid Dissociation Constant (pKa)
6.35
Base Dissociation Constant (pKb)
-2.16
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
30.77
8013-1190 in Drug Discovery
Included in Screening Libraries
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 8013-1190 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)