0864-0052 Screening compound: 1,4,7-trioxa-10-azacyclododecane
Chemical Structure Depiction of ChemDiv screening compound 0864-0052
1,4,7-trioxa-10-azacyclododecane
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
0864-0052
Molecular Formula
C8H17NO3 (C8 H17 NO3)
Compound Name
1,4,7-trioxa-10-azacyclododecane
IUPAC name
147-trioxa-10-azacyclododecane
SMILES
C1NCCOCCOCCOC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HCl
Molecular Weight
175.23
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
0.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
-0.979
Distribution Coefficient, logD
-2.084
Water Solubility, LogSw
0.99
Polar Surface Area
36.448
Acid Dissociation Constant (pKa)
27.37
Base Dissociation Constant (pKb)
8.47
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
100.00
0864-0052 in Drug Discovery
Included in Screening Libraries
Frequent Hitters Library (7624 compounds)
Included in 1.7M Stock Database
- Pool
References: we are preparing a list of scientific research reports with 0864-0052 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)