1051-0169 Screening compound: benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecanyl)hexanoate

1051-0169 Screening compound: benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecanyl)hexanoate
1051-0169 Screening compound: benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecanyl)hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1051-0169
benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecanyl)hexanoate

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

1051-0169

Molecular Formula

C21H31NO6 (C21 H31 NO6)

Compound Name

benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecanyl)hexanoate

IUPAC name

benzyl 6-oxo-6-(147-trioxa-10-azacyclododecan-10-yl)hexanoate

SMILES

O=C(CCCCC(OCc1ccccc1)=O)N1CCOCCOCCOCC1

InChI

InChI=1S/C21H31NO6/c23-20(22-10-12-25-14-16-27-17-15-26-13-11-22)8-4-5-9-21(24)28-18-19-6-2-1-3-7-19/h1-3,6-7H,4-5,8-18H2

InChI Key

BKCVNOSBCSFEGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00349858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.325

Distribution Coefficient, logD

1.325

Water Solubility, LogSw

-1.26

Polar Surface Area

60.950

Acid Dissociation Constant (pKa)

23.20

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

1051-0169 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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 1051-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1051-0169?
Check Price and Availability of 1051-0169, 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 1051-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1051-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1051-0169
  • 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 1051-0169 available by request