J106-0387 Screening compound: 1-(4-fluoro-1H-indazol-3-yl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound J106-0387
1-(4-fluoro-1H-indazol-3-yl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-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
J106-0387
Molecular Formula
C17H21FN4O2 (C17 H21 FN4 O2)
Compound Name
1-(4-fluoro-1H-indazol-3-yl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
IUPAC name
1-(4-fluoro-1H-indazol-3-yl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILES
CC(C)CCNC(C(CC1=O)CN1c1n[nH]c2cccc(F)c12)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
332.38
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.379
Distribution Coefficient, logD
2.379
Water Solubility, LogSw
-2.88
Polar Surface Area
63.924
Acid Dissociation Constant (pKa)
12.33
Base Dissociation Constant (pKb)
-1.14
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
47.10
J106-0387 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
Bcl2-PPI Inhibitors Library (12246 compounds)
Chelators targeting matrix metalloproteinases library (8930 compounds)
Protein-Protein Interaction Library (218420 compounds)
Antibacterial Compounds Library (13827 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- 3D
- Cyclic compounds
- Cancer
- Hemic and lymphatic
- Cancer
- Digestive system
- Cardiovascular
- Infections
- Immune system
- animal
- PPI modulators
- PPI modulators
- Proteases
References: we are preparing a list of scientific research reports with J106-0387 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)