S577-0920 Screening compound: 1-[(3,4-difluorophenyl)methyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound S577-0920
1-[(3,4-difluorophenyl)methyl]-N-methyl-4-phenoxypyrrolidine-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
S577-0920
Molecular Formula
C19H20F2N2O2 (C19 H20 F2 N2 O2)
Compound Name
1-[(3,4-difluorophenyl)methyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide
IUPAC name
(2R4S)-1-[(34-difluorophenyl)methyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide
SMILES
CNC([C@@H](C1)N(Cc(cc2)cc(F)c2F)C[C@H]1Oc1ccccc1)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
346.38
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
2.740
Distribution Coefficient, logD
2.740
Water Solubility, LogSw
-3.09
Polar Surface Area
35.227
Acid Dissociation Constant (pKa)
13.80
Base Dissociation Constant (pKb)
3.57
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
31.58
S577-0920 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
Natural-Product-Based Library (3730 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- 3D
- Pool
- Cyclic compounds
- PPI modulators
References: we are preparing a list of scientific research reports with S577-0920 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)