0864-0058 Screening compound: 10-benzyl-1,4,7-trioxa-10-azacyclododecane

0864-0058 Screening compound: 10-benzyl-1,4,7-trioxa-10-azacyclododecane
0864-0058 Screening compound: 10-benzyl-1,4,7-trioxa-10-azacyclododecane alternative view

Chemical Structure Depiction of ChemDiv screening compound 0864-0058
10-benzyl-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

0864-0058

Molecular Formula

C15H23NO3 (C15 H23 NO3)

Compound Name

10-benzyl-1,4,7-trioxa-10-azacyclododecane

IUPAC name

n/a

SMILES

C(c1ccccc1)N1CCOCCOCCOCC1

InChI

InChI=1S/C15H23NO3/c1-2-4-15(5-3-1)14-16-6-8-17-10-12-19-13-11-18-9-7-16/h1-5H,6-14H2

InChI Key

JPSAXKRUQAICFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00142584

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

265.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.182

Distribution Coefficient, logD

1.117

Water Solubility, LogSw

-1.52

Polar Surface Area

28.028

Acid Dissociation Constant (pKa)

28.78

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

0864-0058 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0864-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0864-0058?
Check Price and Availability of 0864-0058, 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 0864-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0864-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0864-0058
  • 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 0864-0058 available by request