SD49-0026 Screening compound: 3-{6-methyl-2-[2-(trifluoromethyl)benzyl]-2,6-diazaspiro[3.4]oct-8-yl}-1-morpholino-1-propanone
Chemical Structure Depiction of ChemDiv screening compound SD49-0026
3-{6-methyl-2-[2-(trifluoromethyl)benzyl]-2,6-diazaspiro[3.4]oct-8-yl}-1-morpholino-1-propanone
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
SD49-0026
Molecular Formula
C22H30F3N3O2 (C22 H30 F3 N3 O2)
Compound Name
3-{6-methyl-2-[2-(trifluoromethyl)benzyl]-2,6-diazaspiro[3.4]oct-8-yl}-1-morpholino-1-propanone
IUPAC name
3-(6-methyl-2-{[2-(trifluoromethyl)phenyl]methyl}-26-diazaspiro[3.4]octan-8-yl)-1-(morpholin-4-yl)propan-1-one
SMILES
CN1CC2(CN(Cc3c(C(F)(F)F)cccc3)C2)C(CCC(N2CCOCC2)=O)C1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
425.49
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
2.039
Distribution Coefficient, logD
-2.180
Water Solubility, LogSw
-2.61
Polar Surface Area
31.828
Acid Dissociation Constant (pKa)
24.79
Base Dissociation Constant (pKb)
11.62
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
68.18
SD49-0026 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with SD49-0026 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of SD49-0026, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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)