F378-0525 Screening compound: ethyl 4-[(4-bromo-3-methylphenyl)sulfamoyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of ChemDiv screening compound F378-0525
ethyl 4-[(4-bromo-3-methylphenyl)sulfamoyl]-1,3,5-trimethyl-1H-pyrrole-2-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
F378-0525
Molecular Formula
C17H21BrN2O4S (C17 H21 BrN2 O4 S)
Compound Name
ethyl 4-[(4-bromo-3-methylphenyl)sulfamoyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
IUPAC name
ethyl 4-[(4-bromo-3-methylphenyl)sulfamoyl]-135-trimethyl-1H-pyrrole-2-carboxylate
SMILES
CCOC(c1c(C)c(S(Nc(cc2)cc(C)c2Br)(=O)=O)c(C)n1C)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
429.33
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
3.724
Distribution Coefficient, logD
3.139
Water Solubility, LogSw
-3.92
Polar Surface Area
63.450
Acid Dissociation Constant (pKa)
6.95
Base Dissociation Constant (pKb)
-3.02
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
35.30
F378-0525 in Drug Discovery
Included in Screening Libraries
Anti-Inflammatory Library (24602 compounds)
Anticancer Library (62698 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Immune system
- Cancer
- Agro
References: we are preparing a list of scientific research reports with F378-0525 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)