0864-0054 Screening compound: 1,4,7,10,13-pentaoxa-16-azacyclooctadecane

0864-0054 Screening compound: 1,4,7,10,13-pentaoxa-16-azacyclooctadecane
0864-0054 Screening compound: 1,4,7,10,13-pentaoxa-16-azacyclooctadecane alternative view

Chemical Structure Depiction of ChemDiv screening compound 0864-0054
1,4,7,10,13-pentaoxa-16-azacyclooctadecane

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

0864-0054

Molecular Formula

C12H25NO5 (C12 H25 NO5)

Compound Name

1,4,7,10,13-pentaoxa-16-azacyclooctadecane

IUPAC name

1471013-pentaoxa-16-azacyclooctadecane

SMILES

C1NCCOCCOCCOCCOCCOC1

InChI

InChI=1S/C12H25NO5/c1-3-14-5-7-16-9-11-18-12-10-17-8-6-15-4-2-13-1/h13H,1-12H2

InChI Key

NBXKUSNBCPPKRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00075466

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

263.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-1.329

Distribution Coefficient, logD

-2.434

Water Solubility, LogSw

0.98

Polar Surface Area

52.265

Acid Dissociation Constant (pKa)

27.37

Base Dissociation Constant (pKb)

8.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

100.00

0864-0054 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0864-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0864-0054?
Check Price and Availability of 0864-0054, 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 0864-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0864-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0864-0054
  • 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 0864-0054 available by request