SA14-1158 Screening compound: 12-[(1-METHYL-4-PIPERIDYL)CARBONYL]-4-PHENYL-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-CARBOXAMIDE
Chemical Structure Depiction of ChemDiv screening compound SA14-1158
12-[(1-METHYL-4-PIPERIDYL)CARBONYL]-4-PHENYL-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-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
SA14-1158
Molecular Formula
C23H29N5O2 (C23 H29 N5 O2)
Compound Name
12-[(1-METHYL-4-PIPERIDYL)CARBONYL]-4-PHENYL-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-CARBOXAMIDE
IUPAC name
(1R9S)-12-(1-methylpiperidine-4-carbonyl)-4-phenyl-3512-triazatricyclo[7.2.1.0^{37}]dodeca-46-diene-6-carboxamide
SMILES
n12c(c(nc1c1ccccc1)C(=O)N)C[C@H]1N(C(C3CCN(CC3)C)=O)[C@@H](C2)CC1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
407.52
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
0.722
Distribution Coefficient, logD
-3.031
Water Solubility, LogSw
-1.34
Polar Surface Area
64.068
Acid Dissociation Constant (pKa)
14.92
Base Dissociation Constant (pKb)
11.15
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
52.17
SA14-1158 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with SA14-1158 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)