S233-0767 Screening compound: N-methyl-N-({1-methyl-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl}methyl)furan-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound S233-0767
N-methyl-N-({1-methyl-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl}methyl)furan-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
S233-0767
Molecular Formula
C16H22N2O3 (C16 H22 N2 O3)
Compound Name
N-methyl-N-({1-methyl-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl}methyl)furan-2-carboxamide
IUPAC name
N-{[(4aS7aR)-1-methyl-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}-N-methylfuran-2-carboxamide
SMILES
CN(C[C@](CCC1)(CC2)[C@@H]1N(C)C2=O)C(c1ccco1)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
290.36
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
0.784
Distribution Coefficient, logD
0.784
Water Solubility, LogSw
-1.32
Polar Surface Area
41.296
Acid Dissociation Constant (pKa)
23.13
Base Dissociation Constant (pKb)
6.74
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
62.50
S233-0767 in Drug Discovery
Included in Screening Libraries
Soluble Diversity Library (15920 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Included in 1.7M Stock Database
- Cancer
- PPI modulators
References: we are preparing a list of scientific research reports with S233-0767 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)