5585-0332 Screening compound: 2-(4-isopropoxyphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Chemical Structure Depiction of ChemDiv screening compound 5585-0332
2-(4-isopropoxyphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
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
5585-0332
Molecular Formula
C23H34N2O2 (C23 H34 N2 O2)
Compound Name
2-(4-isopropoxyphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
IUPAC name
2-[4-(propan-2-yloxy)phenyl]-57-dipropyl-13-diazatricyclo[3.3.1.1^{37}]decan-6-one
SMILES
CCCC(C1)(CN2C(c(cc3)ccc3OC(C)C)N1CC1(CCC)C2)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
370.54
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
4.823
Distribution Coefficient, logD
4.823
Water Solubility, LogSw
-4.44
Polar Surface Area
26.721
Acid Dissociation Constant (pKa)
26.55
Base Dissociation Constant (pKb)
3.01
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
69.60
References: we are preparing a list of scientific research reports with 5585-0332 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)