N106-1312 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(tetrahydro-2H-pyran-4-ylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-benzylbutanamide
Chemical Structure Depiction of ChemDiv screening compound N106-1312
4-[(1R,3aS,10aS,10bS)-2-(tetrahydro-2H-pyran-4-ylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-benzylbutanamide
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
N106-1312
Molecular Formula
C28H41N3O3 (C28 H41 N3 O3)
Compound Name
4-[(1R,3aS,10aS,10bS)-2-(tetrahydro-2H-pyran-4-ylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-benzylbutanamide
IUPAC name
N-benzyl-4-[(5R6R9S13S)-7-(oxane-4-carbonyl)-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]butanamide
SMILES
O=C(CCC[C@H]([C@@H]1[C@H]([C@@H](CCC2)C3)N2CCC1)N3C(C1CCOCC1)=O)NCc1ccccc1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
467.65
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.209
Distribution Coefficient, logD
-0.369
Water Solubility, LogSw
-2.54
Polar Surface Area
51.493
Acid Dissociation Constant (pKa)
13.01
Base Dissociation Constant (pKb)
9.98
Number of Chiral Centers
4.00
Percent sp3 carbon bonding
71.43
N106-1312 in Drug Discovery
Included in Screening Libraries
Bcl2-PPI Inhibitors Library (12246 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
- Cancer
- Hemic and lymphatic
- PPI modulators
References: we are preparing a list of scientific research reports with N106-1312 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)