G542-0861 Screening compound: 5-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound G542-0861
5-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
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
G542-0861
Molecular Formula
C21H21FN4O3 (C21 H21 FN4 O3)
Compound Name
5-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
IUPAC name
5-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-4-oxo-4H5H6H7H8H-pyrazolo[15-a][14]diazepine-2-carboxamide
SMILES
Cc1ccc(CNC(c2nn(CCCN(Cc(cc3)ccc3F)C3=O)c3c2)=O)o1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
396.42
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.579
Distribution Coefficient, logD
2.579
Water Solubility, LogSw
-2.85
Polar Surface Area
62.058
Acid Dissociation Constant (pKa)
11.27
Base Dissociation Constant (pKb)
-2.37
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
28.60
G542-0861 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Macl-GPIb alpha Interaction Library (22969 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Hemic and lymphatic
- Cardiovascular
- Cancer
- Digestive system
- Female
- Hemic and lymphatic
- Metabolic
- Immune system
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Mimetics
- Cyclic compounds
- Mimetics
- Others
References: we are preparing a list of scientific research reports with G542-0861 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)