L676-1414 Screening compound: N-[(3-methoxyphenyl)methyl]-9-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
Chemical Structure Depiction of ChemDiv screening compound L676-1414
N-[(3-methoxyphenyl)methyl]-9-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
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
L676-1414
Molecular Formula
C26H34N4O3S (C26 H34 N4 O3 S)
Compound Name
N-[(3-methoxyphenyl)methyl]-9-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
IUPAC name
N-[(3-methoxyphenyl)methyl]-9-(5678-tetrahydronaphthalene-2-sulfonyl)-149-triazaspiro[5.5]undec-4-en-5-amine
SMILES
COc1cccc(CNC2=NCCNC2(CC2)CCN2S(c2cc(CCCC3)c3cc2)(=O)=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HCl
Molecular Weight
482.65
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
4.025
Distribution Coefficient, logD
0.250
Water Solubility, LogSw
-4.07
Polar Surface Area
71.830
Acid Dissociation Constant (pKa)
15.21
Base Dissociation Constant (pKb)
11.17
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
50.00
L676-1414 in Drug Discovery
Included in Screening Libraries
Protein-Protein Interaction Library (218420 compounds)
Spiro Library (21655 compounds)
TLR-8 ligands Library (674 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Ion Channels Focused Library (26372 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- Receptor's ligands
- Cyclic compounds
- Cyclic compounds
- Female
- Skin
- Immune system
- Nervous system
- Cardiovascular
- Others
- Ion Channels
References: we are preparing a list of scientific research reports with L676-1414 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)