S639-1687 Screening compound: N-{4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl}-2,5-difluorobenzamide
Chemical Structure Depiction of ChemDiv screening compound S639-1687
N-{4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl}-2,5-difluorobenzamide
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
S639-1687
Molecular Formula
C19H27F2N3O2 (C19 H27 F2 N3 O2)
Compound Name
N-{4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl}-2,5-difluorobenzamide
IUPAC name
n/a
SMILES
CN(C)C[C@@H](CN(C1)C2CCOCC2)[C@H]1NC(c(cc(cc1)F)c1F)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
367.44
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
1.773
Distribution Coefficient, logD
-0.339
Water Solubility, LogSw
-2.57
Polar Surface Area
39.889
Acid Dissociation Constant (pKa)
12.33
Base Dissociation Constant (pKb)
9.51
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
63.20
S639-1687 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Mimetics
- Agro
References: we are preparing a list of scientific research reports with S639-1687 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)