S639-1334 Screening compound: N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]isonicotinamide
Chemical Structure Depiction of ChemDiv screening compound S639-1334
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]isonicotinamide
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
S639-1334
Molecular Formula
C19H25N5O (C19 H25 N5 O)
Compound Name
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]isonicotinamide
IUPAC name
N-[(3S4R)-4-[(dimethylamino)methyl]-1-[(pyridin-2-yl)methyl]pyrrolidin-3-yl]pyridine-4-carboxamide
SMILES
CN(C)C[C@@H](CN(Cc1ncccc1)C1)[C@H]1NC(c1ccncc1)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
339.44
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
-0.032
Distribution Coefficient, logD
-2.098
Water Solubility, LogSw
-0.98
Polar Surface Area
51.399
Acid Dissociation Constant (pKa)
13.44
Base Dissociation Constant (pKb)
9.46
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
42.10
S639-1334 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Antiviral Library (67538 compounds)
GPCR Targeted Library (31838 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- GPCR
- Receptor's ligands
References: we are preparing a list of scientific research reports with S639-1334 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)