1390-0021 Screening compound: {1,4-dioxaspiro[4.5]decan-2-yl}methanol
Chemical Structure Depiction of ChemDiv screening compound 1390-0021
{1,4-dioxaspiro[4.5]decan-2-yl}methanol
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
1390-0021
Molecular Formula
C9H16O3 (C9 H16 O3)
Compound Name
{1,4-dioxaspiro[4.5]decan-2-yl}methanol
IUPAC name
{14-dioxaspiro[4.5]decan-2-yl}methanol
SMILES
OCC1OC2(CCCCC2)OC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
172.22
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
1.219
Distribution Coefficient, logD
1.219
Water Solubility, LogSw
-1.02
Polar Surface Area
31.839
Acid Dissociation Constant (pKa)
13.56
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
100.00
1390-0021 in Drug Discovery
Included in Screening Libraries
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Agro
References: we are preparing a list of scientific research reports with 1390-0021 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)