0525-0025 Screening compound: 6,9,17,20,25,28-hexaoxa-1,3,12,14-tetraazabicyclo[12.8.8]triacontane-2,13-dithione

0525-0025 Screening compound: 6,9,17,20,25,28-hexaoxa-1,3,12,14-tetraazabicyclo[12.8.8]triacontane-2,13-dithione
0525-0025 Screening compound: 6,9,17,20,25,28-hexaoxa-1,3,12,14-tetraazabicyclo[12.8.8]triacontane-2,13-dithione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0525-0025
6,9,17,20,25,28-hexaoxa-1,3,12,14-tetraazabicyclo[12.8.8]triacontane-2,13-dithione

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

0525-0025

Molecular Formula

C20H38N4O6S2 (C20 H38 N4 O6 S2)

Compound Name

6,9,17,20,25,28-hexaoxa-1,3,12,14-tetraazabicyclo[12.8.8]triacontane-2,13-dithione

IUPAC name

6917202528-hexaoxa-131214-tetraazabicyclo[12.8.8]triacontane-213-dithione

SMILES

S=C(NCCOCCOCCN1)N(CCOCCOCC2)CCOCCOCCN2C1=S

InChI

InChI=1S/C20H38N4O6S2/c31-19-21-1-7-25-13-14-26-8-2-22-20(32)24-5-11-29-17-15-27-9-3-23(19)4-10-28-16-18-30-12-6-24/h1-18H2,(H,21,31)(H,22,32)

InChI Key

MWKDZTPCXNQIAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00988251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.313

Distribution Coefficient, logD

-0.313

Water Solubility, LogSw

-0.98

Polar Surface Area

78.433

Acid Dissociation Constant (pKa)

17.00

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

90.00

0525-0025 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 0525-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0525-0025?
Check Price and Availability of 0525-0025, 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 0525-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0525-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0525-0025
  • 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 0525-0025 available by request