G070-0336 Screening compound: ethyl 4-({3-[(3-ethylphenyl)carbamoyl]piperidin-1-yl}sulfonyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of ChemDiv screening compound G070-0336
ethyl 4-({3-[(3-ethylphenyl)carbamoyl]piperidin-1-yl}sulfonyl)-2,5-dimethyl-1H-pyrrole-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
G070-0336
Molecular Formula
C23H31N3O5S (C23 H31 N3 O5 S)
Compound Name
ethyl 4-({3-[(3-ethylphenyl)carbamoyl]piperidin-1-yl}sulfonyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
IUPAC name
ethyl 4-({3-[(3-ethylphenyl)carbamoyl]piperidin-1-yl}sulfonyl)-25-dimethyl-1H-pyrrole-3-carboxylate
SMILES
CCc1cccc(NC(C(CCC2)CN2S(c2c(C)[nH]c(C)c2C(OCC)=O)(=O)=O)=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
461.58
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
2.988
Distribution Coefficient, logD
2.988
Water Solubility, LogSw
-3.39
Polar Surface Area
86.516
Acid Dissociation Constant (pKa)
11.66
Base Dissociation Constant (pKb)
-0.10
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
47.80
G070-0336 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Antiviral Annotated Library (21441 compounds)
Protein Arginine Methyltransferases Library (27925 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
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Others
- Epigenetic
References: we are preparing a list of scientific research reports with G070-0336 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)