G955-0119 Screening compound: 1,4-dimethyl-2-{[methyl(phenyl)carbamoyl]methyl}-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of ChemDiv screening compound G955-0119
1,4-dimethyl-2-{[methyl(phenyl)carbamoyl]methyl}-1H-pyrrole-3-carboxylic acid
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
G955-0119
Molecular Formula
C16H18N2O3 (C16 H18 N2 O3)
Compound Name
1,4-dimethyl-2-{[methyl(phenyl)carbamoyl]methyl}-1H-pyrrole-3-carboxylic acid
IUPAC name
14-dimethyl-2-{[methyl(phenyl)carbamoyl]methyl}-1H-pyrrole-3-carboxylic acid
SMILES
Cc1cn(C)c(CC(N(C)c2ccccc2)=O)c1C(O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
286.33
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
1.403
Distribution Coefficient, logD
-0.396
Water Solubility, LogSw
-1.56
Polar Surface Area
46.055
Acid Dissociation Constant (pKa)
5.61
Base Dissociation Constant (pKb)
-1.54
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
25.00
G955-0119 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
Antiviral Library (67538 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- 3D
- Antiviral
- Infections
- Immune system
- Agro
References: we are preparing a list of scientific research reports with G955-0119 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)