S632-4562 Screening compound: 4-{1-[(2-methoxyethyl)carbamoyl]pyrrolidin-3-yl}-N-methylpiperidine-1-carboxamide
Chemical Structure Depiction of ChemDiv screening compound S632-4562
4-{1-[(2-methoxyethyl)carbamoyl]pyrrolidin-3-yl}-N-methylpiperidine-1-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
S632-4562
Molecular Formula
C15H28N4O3 (C15 H28 N4 O3)
Compound Name
4-{1-[(2-methoxyethyl)carbamoyl]pyrrolidin-3-yl}-N-methylpiperidine-1-carboxamide
IUPAC name
4-{1-[(2-methoxyethyl)carbamoyl]pyrrolidin-3-yl}-N-methylpiperidine-1-carboxamide
SMILES
CNC(N(CC1)CCC1C(CC1)CN1C(NCCOC)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
312.41
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
0.795
Distribution Coefficient, logD
0.795
Water Solubility, LogSw
-1.36
Polar Surface Area
62.726
Acid Dissociation Constant (pKa)
15.96
Base Dissociation Constant (pKb)
2.23
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
86.70
S632-4562 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- 3D
- Cyclic compounds
- PPI modulators
- Agro
References: we are preparing a list of scientific research reports with S632-4562 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)