0864-0126 Screening compound: 7,16-dibutyl 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxylate

0864-0126 Screening compound: 7,16-dibutyl 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxylate
0864-0126 Screening compound: 7,16-dibutyl 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0864-0126
7,16-dibutyl 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxylate

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

0864-0126

Molecular Formula

C22H42N2O8 (C22 H42 N2 O8)

Compound Name

7,16-dibutyl 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxylate

IUPAC name

716-dibutyl 141013-tetraoxa-716-diazacyclooctadecane-716-dicarboxylate

SMILES

CCCCOC(N(CCOCCOCC1)CCOCCOCCN1C(OCCCC)=O)=O

InChI

InChI=1S/C22H42N2O8/c1-3-5-11-31-21(25)23-7-13-27-17-19-29-15-9-24(22(26)32-12-6-4-2)10-16-30-20-18-28-14-8-23/h3-20H2,1-2H3

InChI Key

GUPJBGSLJRKKIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.921

Distribution Coefficient, logD

2.921

Water Solubility, LogSw

-2.62

Polar Surface Area

78.544

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

90.90

0864-0126 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 0864-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0864-0126?
Check Price and Availability of 0864-0126, 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 0864-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0864-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0864-0126
  • 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 0864-0126 available by request