6049-2031 Screening compound: [8-ethyl-3-(hydroxymethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]methanol

6049-2031 Screening compound: [8-ethyl-3-(hydroxymethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]methanol
6049-2031 Screening compound: [8-ethyl-3-(hydroxymethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-2031
[8-ethyl-3-(hydroxymethyl)-1-oxa-4-azaspiro[4.5]decan-3-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

6049-2031

Molecular Formula

C12H23NO3 (C12 H23 NO3)

Compound Name

[8-ethyl-3-(hydroxymethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]methanol

IUPAC name

[8-ethyl-3-(hydroxymethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]methanol

SMILES

CCC(CC1)CCC11OCC(CO)(CO)N1

InChI

InChI=1S/C12H23NO3/c1-2-10-3-5-12(6-4-10)13-11(7-14,8-15)9-16-12/h10,13-15H,2-9H2,1H3

InChI Key

XRNYLYFHWOZHAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01923955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

229.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.658

Distribution Coefficient, logD

1.648

Water Solubility, LogSw

-1.77

Polar Surface Area

56.353

Acid Dissociation Constant (pKa)

14.96

Base Dissociation Constant (pKb)

5.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

100.00

6049-2031 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Ion Channels
  • Kinases

References: we are preparing a list of scientific research reports with 6049-2031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-2031?
Check Price and Availability of 6049-2031, 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.
What is the minimum amount of 6049-2031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-2031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-2031
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 6049-2031 available by request