0177-0023 Screening compound: 19-benzyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane

0177-0023 Screening compound: 19-benzyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
0177-0023 Screening compound: 19-benzyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane alternative view

Chemical Structure Depiction of ChemDiv screening compound 0177-0023
19-benzyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane

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

0177-0023

Molecular Formula

C21H35NO6 (C21 H35 NO6)

Compound Name

19-benzyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane

IUPAC name

19-benzyl-147101316-hexaoxa-19-azacyclohenicosane

SMILES

C(c1ccccc1)N1CCOCCOCCOCCOCCOCCOCC1

InChI

InChI=1S/C21H35NO6/c1-2-4-21(5-3-1)20-22-6-8-23-10-12-25-14-16-27-18-19-28-17-15-26-13-11-24-9-7-22/h1-5H,6-20H2

InChI Key

YAJSCZVHRSWEFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00357533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.657

Distribution Coefficient, logD

0.592

Water Solubility, LogSw

-1.18

Polar Surface Area

51.753

Acid Dissociation Constant (pKa)

28.78

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.40

0177-0023 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0177-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0177-0023?
Check Price and Availability of 0177-0023, 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 0177-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0177-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0177-0023
  • 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 0177-0023 available by request