L793-0612 Screening compound: methyl 4-[2-(1-methyl-1H-pyrrol-2-yl)-2-oxoacetamido]benzoate
Chemical Structure Depiction of ChemDiv screening compound L793-0612
methyl 4-[2-(1-methyl-1H-pyrrol-2-yl)-2-oxoacetamido]benzoate
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
L793-0612
Molecular Formula
C15H14N2O4 (C15 H14 N2 O4)
Compound Name
methyl 4-[2-(1-methyl-1H-pyrrol-2-yl)-2-oxoacetamido]benzoate
IUPAC name
methyl 4-[2-(1-methyl-1H-pyrrol-2-yl)-2-oxoacetamido]benzoate
SMILES
Cn1c(C(C(Nc(cc2)ccc2C(OC)=O)=O)=O)ccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
286.29
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.853
Distribution Coefficient, logD
2.840
Water Solubility, LogSw
-3.61
Polar Surface Area
60.659
Acid Dissociation Constant (pKa)
8.91
Base Dissociation Constant (pKb)
-0.06
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
13.33
L793-0612 in Drug Discovery
Included in Screening Libraries
Anti-Aging Library (44940 compounds)
Antiviral Annotated Library (21441 compounds)
Antiviral Library (67538 compounds)
Human Receptors Annotated Library (5376 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Covalent Inhibitors Library (7986 compounds)
SH2 PTB Focused Library (6188 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Antiviral
- Infections
- Immune system
- Epigenetic
- Cyclic compounds
- 3D
- Fragments
References: we are preparing a list of scientific research reports with L793-0612 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)