SA46-1677 Screening compound: 2-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)-7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octane
Chemical Structure Depiction of ChemDiv screening compound SA46-1677
2-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)-7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octane
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
SA46-1677
Molecular Formula
C18H28N4O2 (C18 H28 N4 O2)
Compound Name
2-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)-7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octane
IUPAC name
2-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)-7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octane
SMILES
CCn1nc(C)c(C(N(C2)CC2(C2)OCC2N2CCCCC2)=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
332.45
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
0.866
Distribution Coefficient, logD
0.008
Water Solubility, LogSw
-1.38
Polar Surface Area
42.499
Acid Dissociation Constant (pKa)
27.45
Base Dissociation Constant (pKb)
8.19
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
77.78
SA46-1677 in Drug Discovery
Included in Screening Libraries
CNS BBB Library (22607 compounds)
Included in 1.7M Stock Database
- Nervous system
References: we are preparing a list of scientific research reports with SA46-1677 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)