T964-1270 Screening compound: N-[2-(4-benzylpiperidin-1-yl)ethyl]-3-oxo-2-(propan-2-yl)-2-azaspiro[3.5]nonane-1-carboxamide
Chemical Structure Depiction of ChemDiv screening compound T964-1270
N-[2-(4-benzylpiperidin-1-yl)ethyl]-3-oxo-2-(propan-2-yl)-2-azaspiro[3.5]nonane-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
T964-1270
Molecular Formula
C26H39N3O2 (C26 H39 N3 O2)
Compound Name
N-[2-(4-benzylpiperidin-1-yl)ethyl]-3-oxo-2-(propan-2-yl)-2-azaspiro[3.5]nonane-1-carboxamide
IUPAC name
N-[2-(4-benzylpiperidin-1-yl)ethyl]-3-oxo-2-(propan-2-yl)-2-azaspiro[3.5]nonane-1-carboxamide
SMILES
CC(C)N(C(C12CCCCC2)C(NCCN2CCC(Cc3ccccc3)CC2)=O)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
425.61
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.955
Distribution Coefficient, logD
2.897
Water Solubility, LogSw
-3.91
Polar Surface Area
44.404
Acid Dissociation Constant (pKa)
13.92
Base Dissociation Constant (pKb)
8.42
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
69.23
T964-1270 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Protein-Protein Interaction Library (218420 compounds)
Spiro Library (21655 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- Cyclic compounds
- Cyclic compounds
References: we are preparing a list of scientific research reports with T964-1270 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)