S571-0416 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl]methyl}-3-methoxybenzamide
Chemical Structure Depiction of ChemDiv screening compound S571-0416
N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl]methyl}-3-methoxybenzamide
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
S571-0416
Molecular Formula
C21H26N2O3 (C21 H26 N2 O3)
Compound Name
N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl]methyl}-3-methoxybenzamide
IUPAC name
N-{[1-(cyclopropylmethyl)-2-oxo-1H2H3H4H4aH5H6H-cyclopenta[b]pyridin-4a-yl]methyl}-3-methoxybenzamide
SMILES
COc1cccc(C(NCC2(CCC(N3CC4CC4)=O)C3=CCC2)=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
354.45
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.496
Distribution Coefficient, logD
3.496
Water Solubility, LogSw
-3.71
Polar Surface Area
48.476
Acid Dissociation Constant (pKa)
13.83
Base Dissociation Constant (pKb)
5.53
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
52.38
S571-0416 in Drug Discovery
Included in Screening Libraries
CNS BBB Library (22607 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- Nervous system
- Nervous system
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with S571-0416 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)