0177-0019 Screening compound: 16-benzyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane

0177-0019 Screening compound: 16-benzyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
0177-0019 Screening compound: 16-benzyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane alternative view

Chemical Structure Depiction of ChemDiv screening compound 0177-0019
16-benzyl-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

0177-0019

Molecular Formula

C19H31NO5 (C19 H31 NO5)

Compound Name

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

IUPAC name

16-benzyl-1471013-pentaoxa-16-azacyclooctadecane

SMILES

C(c1ccccc1)N1CCOCCOCCOCCOCCOCC1

InChI

InChI=1S/C19H31NO5/c1-2-4-19(5-3-1)18-20-6-8-21-10-12-23-14-16-25-17-15-24-13-11-22-9-7-20/h1-5H,6-18H2

InChI Key

VZPRAOYHVHWTJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00379806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.832

Distribution Coefficient, logD

0.767

Water Solubility, LogSw

-1.20

Polar Surface Area

43.845

Acid Dissociation Constant (pKa)

28.78

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.40

0177-0019 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 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 0177-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0177-0019?
Check Price and Availability of 0177-0019, 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 0177-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0177-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0177-0019
  • 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 0177-0019 available by request